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🏷️ Tags (8587 usages)
⚗️ Metals 2487
▸ Metals — Platinum (109)
apoptosis (297)Pt (214)pt (24)ferroptosis (22)oxaliplatin (21)cisplatin (21)pyroptosis (7)necroptosis (6)transcription (6)carboplatin (5)transcription factors (5)transcriptional regulation (5)platinum (4)lead optimization (3)transcription regulation (3)metabolic adaptation (3)pt(ii) complexes (2)transcriptional regulatory interactions (2)ferroptosis induction (2)transcription initiation (2)transcription-coupled repair (2)adaptive binding (2)cellular adaptation (2)post-transcriptional regulation (2)pt(dach)methionine (1)transcription-coupled nucleotide excision repair (tc-ner) (1)triptolide (1)molecular optimization (1)pt(dach)cl4 (1)innate apoptotic immunity (1)pta (1)oligopeptides (1)transcription-coupled ner (1)ferroptosis suppressor protein 1 (fsp1) (1)apoptotic cells (1)platinumbased (1)hptab (1)signaling-transcriptional mechanisms (1)oncogene transcription inhibition (1)pt2 (1)admet optimization (1)receptor (1)pten (1)platinum(ii) (1)chain-of-thought prompt engineering (1)tetrapeptides (1)apoptotic function (1)adaptive immune response (1)gpt-2 (1)platinum drugs (1)ptii complex (1)platinum complexes (1)transcriptomics (1)cell metabolism disruption (1)peptide (1)pt(s,s-dab) (1)pt(r,r-dab) (1)pt3(hptab) (1)estrogen receptor (1)transcriptional addiction (1)transcription stress (1)septicemia (1)optical spectroscopies (1)receptors (1)selective serotonin reuptake inhibitors (ssri) (1)transcription-coupled nucleotide excision repair (1)pt(r,r-dach) (1)chiroptical response (1)diplatinum helicate (1)cyclometalated 1,3-bis(8-quinolyl) phenyl chloroplatinum(ii) (1)transcriptional activity (1)pt1 (1)disrupting a base pair (1)platinum-containing drugs (1)gpt-4 (1)transcriptional stalling (1)transcription inhibition (1)apoptotic (1)eukaryotic transcription (1)base pairing disruption (1)apoptosis-related disorders (1)coordination chemistry is not relevant, but bioinorganic and medicinal chemistry are related concepts (1)chatgpt (1)apoptosis induction (1)platinum(ii)-based (1)transcriptional activation (1)platinum-based compounds (1)inhibition of transcription factors (1)molecular descriptors (1)pt(dach)oxalato (1)polypeptide chains (1)pt(dach)cl2 (1)glp-1 receptor agonists (1)chiroptical applications (1)pt(s,s-dach) (1)cell-penetrating peptides (1)cysteine uptake (1)therapeutic optimization (1)shape description methods (1)transcription blockage (1)antiferroptotic (1)rna transcription (1)electronic absorption (1)cellular adaptation to hypoxia (1)ferroptosis suppressor protein 1 (1)apoptosis evasion (1)phosphopeptide-based kinome analysis (1)anti-apoptotic (1)gpt (1)
▸ Metals — Cobalt (185)
coordination-chemistry (102)Co (64)coordination chemistry (55)colorectal cancer (19)computational biology (7)spectroscopy (7)computational chemistry (6)computational modeling (6)pharmacology (6)co (5)pharmacovigilance (5)cryo-electron microscopy (4)glucose (4)colon cancer (4)metal complexes (4)glycolysis (4)oncology (4)pharmacokinetics (4)conformational change (3)glycocalyx (3)oncometabolite (3)complex i (3)oncosis (3)oncogenesis (2)polypharmacology (2)in-silico (2)plant secondary metabolites (2)computational approaches (2)in silico (2)convolutional neural networks (2)complex iii (2)natural compounds (2)pharmacodynamics (2)mitochondrial complex i (2)aerobic glycolysis (2)oncogene (2)covid-19 (2)microviscosity (1)pharmacometabolomics (1)complex formation (1)redox control (1)fatty alcohols (1)influence on physicochemical properties (1)fluorescence recovery after photobleaching (1)convolutional neural network (1)conditional lethality (1)picolinic acid (1)sars-cov-1 (1)metabolic control (1)pharmacological inhibition (1)pharmacokinetic (1)therapeutic controversy (1)multicolor emission (1)co2 fixation (1)protein complex (1)oncogenes (1)recombination (1)confocal microscopy (1)metal-ligand cooperation (1)cell surface recognition (1)sarcoma (1)network pharmacology (1)covalent interaction (1)escherichia coli (1)cobalamin (1)reversible compartmentalization (1)oncogene promoter regions (1)cellular compartments (1)coulometric karl fischer apparatus (1)combinatorial treatment (1)heme-containing enzymes (1)coimmunoprecipitation assay (1)glycosphingolipids (1)comorbidities (1)glycolytic activity (1)computational metabolomics (1)conformational isomerization (1)constitutive induction (1)confocal imaging (1)alcoholic hepatitis (1)knowledge discovery (1)oncogenic mutation (1)cobaltocene (1)coordination (1)computational approach (1)inorganic compounds (1)toxicology (1)conformational stability (1)connectivity mapping (1)mitochondrial uncoupling protein 2 (1)pharmacokinetic analyses (1)membrane permeability comparison (1)computer models (1)pathological conditions (1)dna condensation (1)4-octyl-itaconate (4-oi) (1)glucose dependence (1)cockayne's syndrome (1)atomic force microscope (1)complex diseases (1)dna conformational distortion (1)computational prediction (1)health economics (1)viscometry (1)conformational transitions (1)anticoagulant (1)glycome (1)oncogenic pathways (1)mitochondrial quality control (1)spin-orbit coupling (1)cytosolic ca21 concentration (1)cobamide (1)glycobiology (1)coimmunoprecipitation (1)dual protein expansion microscopy (1)brightfield microscopy (1)complexes (1)fluorescence recovery after photobleaching (frap) (1)glucose deprivation resistance (1)physicochemical properties (1)cell-like compartments (1)expansion microscopy (1)anticoagulants (1)ascorbic acid (1)oncogenic signaling (1)collective intelligence (1)cordycepin (1)genetic encoding (1)co2 (1)coupled-cluster computations (1)atp-competitive inhibitors (1)non-covalent interaction (1)computational methods (1)conformational states (1)conformational transition (1)electronic health records (1)sars-cov-2 (1)computational models (1)pharmacodynamic (1)text encoder (1)social cognition (1)sensory nerve conduction velocity (1)covalent binding (1)oncogene-mediated cellular transformation (1)fluorescence microscopy (1)glycolysis pathway (1)electronic conductometry (1)conformational landscapes (1)inductively coupled plasma mass spectrometry (1)itaconate (1)co(terpy)2+ (1)nmr spectroscopy (1)computational analysis (1)inductively coupled plasma mass spectrometer (1)coenzyme q10 (1)cell communication (1)colony formation assay (1)physico-chemical mechanisms (1)recognition (1)glycolytic enzymes (1)systems pharmacology (1)atomic force microscopy (1)computational methodologies (1)oncogenic (1)click expansion microscopy (1)glycosylation (1)n-(2-picolyl)salicylimine (1)ewing sarcoma (1)computational study (1)anticoagulation (1)confocal laser scanning microscopy (1)immuno-oncology (1)genome conformation profiling (1)somatic comorbidities (1)uv-vis spectroscopy (1)in silico analysis (1)co-immunoprecipitation (1)caco-2 cell monolayers (1)scoping review (1)conformational switch (1)damage recognition (1)entity recognition (1)energy conversion (1)noncovalent interactions (1)computer analysis (1)
▸ Metals — Iron (60)
▸ Metals — Ruthenium (86)
Ru (41)drug discovery (27)drug-delivery (23)drug resistance (11)prodrug (9)drug-drug interactions (9)drugs (7)adverse drug reactions (7)structural biology (7)drug repurposing (6)drug delivery (5)drug (5)drug development (5)g-quadruplex dna (4)ru (4)protein structure (3)drug interactions (3)structural analysis (3)drug screening (3)drug-target interaction prediction (3)g-quadruplex (3)drug design (3)drug repositioning (2)metallodrugs (2)structural data (2)drug-target interaction (2)serum (1)structure-based virtual screening (1)recruitment (1)hexammineruthenium(iii) (1)drug testing (1)spectrum diagrams (1)drug therapy (1)drug safety monitoring (1)drug sensitivity and resistance testing (1)drug safety assessment (1)structure (1)structural insights (1)adverse drug reaction detection (1)drug sensitization (1)drug target (1)truncations (1)drug-drug interaction prediction (1)protein structure-function relationship (1)pyruvate (1)drug-drug interaction identification (1)phenotypic drug screening (1)spontaneous adverse drug reaction reports (1)structural basis (1)antiviral drug discovery (1)drug tolerance (1)green rust (1)structural modeling (1)small-molecule drugs (1)structural methods (1)drug-nutrient interactions (1)adverse drug events (1)computational drug discovery (1)metal-based drugs (1)structural rearrangement (1)protein structure analysis (1)virus (1)small-molecule oral drugs (1)targeted drug delivery (1)adverse drug reaction (1)chemical drugs (1)doxorubicin (1)drug resistance reduction (1)drug-likeness (1)drug interaction prediction (1)drug target identification (1)macromolecular structure determination (1)resorufin (1)drug interaction analysis (1)drug combinations (1)non-steroidal anti-inflammatory drugs (nsaids) (1)structural bioinformatics (1)structure prediction (1)drug response (1)drug interaction screening (1)ruthenium(ii)-based (1)drug detection (1)structure-function analysis (1)metal-based drug (1)protocellular structures (1)drug interaction identification (1)
▸ Metals — Copper (63)
▸ Metals — Gold (19)
▸ Metals — Iridium (29)
▸ Metals — Others (17)
▸ Metals — Palladium (13)
▸ Metals — Zinc (5)
▸ Metals — Other (17)
🔬 Methods 1116
▸ Methods — Other experimental (213)
synthesis (244)ML (51)docking (23)natural language processing (12)in vitro (7)in vivo (6)morphological profiling (4)literature search (4)benchmarking (4)network analysis (4)image-based profiling (3)biochemical analysis (3)text analysis (3)bibliometric analysis (3)api (2)incites (2)vosviewer (2)experimental (2)theoretical studies (2)high-throughput screening (2)sequence analysis (2)information extraction (2)pubmed (2)cck-8 assay (2)statistics (2)lectin array (2)statistical approach (2)literature review (2)genetic (2)icite (2)lectin microarray (2)semantic search (2)data visualization (1)in vivo studies (1)target-based approaches (1)permeability measurement (1)gene expression profile (1)patch clamp (1)cnns (1)knockout mouse studies (1)cpg island methylator phenotype (1)in vitro models (1)immunoblot (1)bret2 (1)preclinical models (1)graph theory (1)gnns (1)passive rheology (1)nonequilibrium sensitivity analysis (1)ex vivo (1)multilayer network integration (1)inhibition assay (1)go analysis (1)experimental data analysis (1)caspase activity (1)nct (1)esm (1)web of science (1)gene expression microarray (1)uv light exposure (1)text2sql (1)decision-making (1)short tandem repeat profiling (1)in-vitro (1)analytical determination methods (1)perturbation (1)immunospecific antibodies (1)overexpression (1)mechanistic analysis (1)nuclease digestion (1)enzymatic reaction (1)excision assay (1)nuclear magnetic resonance (not explicitly mentioned but implied through study of variants) (1)pampa assay (1)experimental studies (1)null models (1)binding studies (1)clinical analysis (1)semi-supervised learning (1)efficacy analyses (1)supervised learning (1)electric field application (1)mouse model (1)estimates (1)isothermal calorimetry (1)rational design (1)learning to rank (1)gene expression analysis (1)fluorometry (1)octanol-aqueous shake-flask method (1)polypharmacy regimens (1)predictive models (1)xr-seq (1)graph learning (1)human studies (1)in vivo lung perfusion (1)merip-seq (1)uv-detection (1)atp hydrolysis (1)clinical methods (1)data processing (1)glovebox-bound apparatus (1)hoechst 33,258 staining (1)mutational analyses (1)semantic retrieval (1)solid-phase microextraction (1)immunization (1)pathscan array (1)quantitative phase behavior (1)natural bond orbital (nbo) analysis (1)ai (1)immunological analysis (1)cellular assays (1)synthetic biology tools (1)nanotherapeutic approaches (1)splicing regulation profiling (1)genome-wide screening (1)loss-of-function screens (1)histochemical staining (1)resazurin reduction assay (1)stopped-flow ph jump experiments (1)protein language model (1)experimental validation (1)matrix factorization (1)giao method (1)multi-head attention mechanism (1)rnns (1)phase ii trial (1)calorimetry (1)high throughput screening (1)trp emission (1)self-supervised learning (1)chemocentric approach (1)graph-based learning (1)tcga analysis (1)theoretical framework (1)machine-learning algorithms (1)ablation experiments (1)boolean logic (1)guanidine hydrochloride denaturation (1)ic50 index (1)statistical analysis (1)quantification (1)ensemble learning (1)in vitro study (1)relation search (1)relation extraction (1)image segmentation (1)genetic studies (1)genome-wide analysis (1)knockdown (1)ccsd(t) (1)biochemical characterization (1)performance evaluation (1)nbo 3.1 (1)rocplotter (1)mitoplast preparation (1)cryoem (1)entity annotation (1)modeling (1)systems engineering (1)database analysis (1)radiation exposure (1)prognostic tools (1)mouse models (1)nuclear magnetic resonance (1)proximity ligation assays (1)mp2(fc)/6–311 +  + (2d,2p) (1)personalized treatments (1)ncbi e-utilities (1)gradient boosting machines (1)kegg analysis (1)genetic algorithm (1)algorithms (1)experimental design (1)system-level/network analyses (1)visualized analysis (1)aimall (1)radiotherapy (1)laboratory methods (1)displacement assay (1)electrophoretic retardation measurements (1)seahorse platform (1)normoxia (1)mixture modeling (1)high-throughput (1)experimental methods (1)slot blot (1)magnetic tweezers (1)thermal denaturation (1)global genome ner (1)genetic profiling (1)mutation analysis (1)algorithm development (1)modelling (1)cell migration assay (1)methylome profiling (1)biochemical studies (1)patch clamping (1)umbrella review (1)zotero (1)immunoblotting (1)statistical methods (1)cellular models (1)miclip (1)fluorometric assay (1)enzymatic assays (1)genetic analysis (1)photophysical (1)biomedical information retrieval (1)logistic regression (1)in-vivo (1)mutational status analysis (1)
▸ Methods — Computational (31)
▸ Methods — Crystallography / Structure (4)
▸ Methods — Cell biology (21)
▸ Methods — Spectroscopy (19)
▸ Methods — Genomics / Omics (25)
▸ Methods — Mass spec / Chromatography (6)
▸ Methods — Clinical / Epidemiology (8)
▸ Methods — Electrochemistry (5)
▸ Methods — Other (1)
🎯 Targets 980
▸ Targets — Mitochondria (15)
▸ Targets — Other (157)
protein (58)enzyme (19)heme (11)gene expression (10)nucleus (9)genome (5)cardiolipin (5)enzymes (5)are (4)nucleolus (4)genetic variants (4)tfiih (4)lipids (4)signal transduction (4)cytoplasm (4)cellular metabolism (4)cell metabolism (3)cell surface (3)ribosome (3)metalloproteins (3)cells (3)cell (3)fumarate hydratase (2)dihydroorotate dehydrogenase (2)ubiquinone (2)stress response (2)tubulin (2)cytosol (2)polysulfides (2)cytochrome c oxidase (2)xpb (2)aif (2)genes (2)ribosome biogenesis (2)chromophore (1)none (1)substrates (1)clinical notes (1)acsl4 (1)protein phosphatase 2a (1)dpscs (1)albumin (1)tissues (1)trxr (1)substrate (1)platelet aggregation (1)tbk1 (1)metabolic phenotype (1)lab results (1)intracellular ph (1)sqr (1)cellular biochemistry (1)target (1)healthy cells (1)sting (1)gene targets (1)variants (1)three-way junction (1)heme-oxygenase1 (1)ddr1 (1)cajal bodies (1)target genes (1)upr (1)mif (1)heme a3 (1)nucleic acids (1)intracellular substrates (1)hydrogen sulfide (h2s) (1)mt1-mmp (1)gene (1)plasma proteins (1)adenine (1)metabolic signatures (1)nuclear foci (1)mscs (1)caspase cascade (1)p65 (1)dna synthesis (1)ddb2 (1)nuclear factor (1)hmga2 (1)ecm (1)diseases (1)spliceosomal proteins (1)neurons (1)smn protein (1)nadh/nad(p)h (1)rtk clusters (1)reactive species (1)metal (1)translation initiation (1)ligand (1)lipid droplet (1)metabolic enzymes (1)pkcd (1)protein kinases (1)peripheral nervous system (1)stem cells (1)cellular targets (1)metalloenzyme (1)chemical reactions (1)4ebp1 (1)procaspase 3 (1)ump synthase (1)rbx1 (1)literature-based evidence (1)ras (1)metabolic biomarkers (1)guanine (1)metal centers (1)ccr7 (1)cytochrome p450 2e1 (1)cell nucleus (1)lung tissue (1)ph (1)stress granules (1)erythrocytes (1)hexokinase 2 (1)nucleic acid (1)nitrogen species (1)four-way junction (1)nucleolar protein (1)p21 (1)mek1/2 (1)membrane potential (1)polysulfides (h2sn) (1)mek (1)annexin v (1)atp production (1)actin (1)traf5 (1)tme (1)cytoskeleton (1)proteoforms (1)cell cycle (1)p47phox (1)metabolome (1)cellular (1)aldoa (1)oxidants (1)zbp1 (1)cellular machines (1)atp (1)actin filaments (1)disease network (1)lipid damage (1)focal adhesions (1)p97 (1)protein sequence (1)xpc (1)whole cell (1)p38 (1)plectin (1)plasmids (1)propidium iodide (1)nadph oxidase 1 (nox1) (1)hdac enzymes (1)
▸ Targets — Nucleic acids (44)
▸ Targets — Membrane / Transport (15)
▸ Targets — Enzymes / Kinases (18)
▸ Targets — Transcription factors (5)
🦠 Diseases 880
▸ Diseases — Cancer (69)
▸ Diseases — Other (41)
▸ Diseases — Neurodegenerative (18)
▸ Diseases — Inflammatory / Immune (6)
▸ Diseases — Metabolic (5)
▸ Diseases — Cardiovascular (6)
▸ Diseases — Hepatic / Renal (8)
⚙️ Mechanisms 800
▸ Mechanisms — ROS / Redox (65)
▸ Mechanisms — Other (96)
cell cycle arrest (16)enzyme inhibition (12)phosphorylation (5)gene expression regulation (5)cell cycle regulation (4)persulfidation (3)detoxification (3)ligand dissociation (2)sequence variants (2)mechanism of action (2)resistance (2)inactivation (2)invasion inhibition (1)er stress responses (1)hormesis (1)invasiveness (1)epithelial-to-mesenchymal transition inhibition (1)oxygen-dependent metabolism (1)aquation (1)paracellular permeability (1)translation efficiency (1)denaturation (1)sequestration (1)oxidative post-translational modification (1)lipid metabolism (1)duplex unwinding (1)unfolded protein response (1)antioxidation (1)calcium regulation (1)radical formation (1)oxidative damage (1)splicing regulation (1)cell growth arrest (1)protein destabilization (1)multivalent interactions (1)protein phosphatase 2a modulation (1)protein dislocation (1)cell growth suppression (1)proteotoxic stress (1)protein rearrangements (1)p21 translation inhibition (1)gg-ner (1)pseudohypoxia (1)hypoxic response (1)electron shuttle (1)low-barrier hydrogen bond (1)kinase inhibition (1)synthetic lethality (1)stress responses (1)mutagenesis (1)subcellular relocalization (1)weak interactions (1)proton ejection (1)metabolic fuel selection (1)posttranslational modification (1)regulatory interactions (1)proton pumps (1)genetic regulation (1)protein unfolding (1)nucleolar homeostasis (1)ligand switch (1)ribosomopathies (1)oxidation-reduction (1)induced fit (1)localization (1)genetic mutation (1)mode of action (1)nucleolar stress response (1)cell killing capacity (1)ligand exchange (1)bond breaking (1)kinase activation (1)modulation (1)diadduct formation (1)cytoskeleton modulation (1)radical-mediated reaction (1)electron self-exchange (1)protein shuttling (1)pore formation (1)cellular metabolism regulation (1)nuclear export processes (1)ion selectivity (1)cell survival suppression (1)stabilization (1)cell damage (1)mitochondrial bioenergetics (1)gene therapy (1)cytochrome p450 2e1 inhibition (1)oxidative metabolic phenotype (1)phosphorylation regulation (1)aggregation (1)downregulation (1)glutamate exchange (1)acidosis (1)dysregulated gene expression (1)glycan expression (1)
▸ Mechanisms — Signaling (51)
▸ Mechanisms — Immune modulation (21)
▸ Mechanisms — DNA damage / Repair (5)
▸ Mechanisms — Epigenetic (18)
▸ Mechanisms — Cell death (7)
▸ Mechanisms — Protein interaction (14)
▸ Mechanisms — Metabolic rewiring (8)
🔗 Ligands 659
▸ Ligands — N-donor (25)
▸ Ligands — Heterocyclic (9)
▸ Ligands — C-donor / NHC (4)
▸ Ligands — S-donor (14)
▸ Ligands — O-donor (7)
▸ Ligands — Other (8)
▸ Ligands — P-donor (2)
▸ Ligands — Peptide / Protein (4)
▸ Ligands — Macrocyclic (3)
▸ Ligands — Polydentate (5)
🧠 Concepts 612
▸ Concepts — Other biomedical (178)
medicinal chemistry (122)photoactivated (27)cell biology (13)chemotherapy (11)metabolism (10)biochemistry (9)artificial intelligence (7)large language models (7)systems biology (6)information retrieval (5)precision medicine (5)gene regulation (5)data mining (5)chemoprevention (4)cheminformatics (4)therapeutic target (4)mitophagy (4)immunology (4)genetics (4)biomedical research (3)large language model (3)biomedical literature (3)hydrogen bonding (3)post-translational modifications (3)chemotherapy resistance (3)variant interpretation (3)immunometabolism (3)physiology (2)clinical practice (2)evidence extraction (2)biotransformation (2)metabolic regulation (2)physiological relevance (2)chemical biology (2)cell cycle progression (2)immunomodulation (2)biophysics (2)protein modification (2)biopharmaceutics (2)immunity (2)in vitro modeling (2)post-translational modification (2)targeted therapy (2)predictive modeling (2)therapy resistance (2)desiccant efficiency (1)multimodal data integration (1)stereochemistry (1)variant evaluation (1)epithelial-mesenchymal transition (1)metalloprotein (1)genetic screening (1)self-assembly (1)personalized therapy (1)protein function prediction (1)cellular mechanisms (1)protein targeting (1)evidence-based medicine (1)photophysics (1)protein modifications (1)translational research (1)paracellular transport (1)helicase mechanism (1)chemiosmosis (1)polarizability (1)nonequilibrium (1)genotype characterization (1)nuclear shape (1)nutrient dependency (1)metabolic engineering (1)interactome (1)therapies (1)probing (1)multiscale analysis (1)reactive species interactome (1)tissue-specific (1)pharmaceutics (1)knowledge extraction (1)metabolic activities (1)protein function (1)chemical ontology (1)proton delocalization (1)permeability (1)biomarkers (1)prediction tool (1)mechanisms of action (1)protein-ligand binding affinity prediction (1)short hydrogen bonds (1)chemical language models (1)biomedical informatics (1)organelle function (1)microbiome (1)pathogenesis (1)mechanistic framework (1)biosignatures (1)cellular stress response (1)ion-selective electrodes (1)multimodal fusion (1)gasotransmitter (1)carbon metabolism (1)bioengineering (1)ion association (1)enzyme mechanism (1)symmetry breaking (1)micropolarity (1)genome stability (1)scaffold (1)global health (1)clinical implications (1)cellular neurobiology (1)mesh indexing (1)llm (1)therapeutic strategy (1)ner (1)dissipative behavior (1)enzymology (1)pretrained model (1)longevity (1)profiling approaches (1)multimodal information integration (1)therapeutic implications (1)astrobiology (1)protein sequence analysis (1)selective degradation (1)mechanical properties (1)biomedical literature search (1)metabolism regulation (1)extracellular vesicles (1)protein chemistry (1)foundation model (1)data science (1)low-barrier hydrogen bonds (1)variant detection (1)synthetic biology (1)therapeutic innovation (1)therapeutic targeting (1)metabolic dependencies (1)protein data bank (1)cellular biology (1)phenotypic screening (1)immunoengineering (1)database (1)thermochemistry (1)therapeutic approaches (1)medical subject heading (1)network biology (1)inorganic chemistry (1)immunoregulation (1)ageing (1)protein interaction networks (1)hormone mimics (1)therapeutics (1)chemotherapy efficacy (1)metabolite-mediated regulation (1)regulatory landscape (1)chemical informatics (1)mental well-being (1)personalized medicine (1)cell plasticity (1)protein science (1)metabolic therapy (1)cell polarity (1)bioavailability (1)biomedicine (1)cellular stress (1)network medicine (1)energy transduction (1)boron helices (1)nucleolar biology (1)sialic acid (1)organic solvent drying (1)phenotypic analysis (1)in vivo perfusion (1)polypharmacy (1)hyperglycemia (1)phenotypic screens (1)mechanobiology (1)nuclear organization (1)
▸ Concepts — Bioinorganic (7)
▸ Concepts — Thermodynamics / Kinetics (10)
▸ Concepts — Evolution / Origin of life (9)
▸ Concepts — Nanomedicine / Delivery (2)
▸ Concepts — Cancer biology (1)
📦 Other 583
▸ Other (169)
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4728 articles
Devjanee Bardhan, Dillip Kumar Chand · 2019 · Chemistry – A European Journal · Wiley · added 2026-04-20
AbstractMetal‐driven self‐assembly is one of the most effective approaches to lucidly design a large range of discrete 2D and 3D coordination architectures/complexes. Palladium(II)‐based self‐assemble Show more
AbstractMetal‐driven self‐assembly is one of the most effective approaches to lucidly design a large range of discrete 2D and 3D coordination architectures/complexes. Palladium(II)‐based self‐assembled coordination architectures are usually prepared by using suitable metal components, in either a partially protected form (PdL′) or typical form (Pd; charges are not shown), and designed ligand components. The self‐assembled molecules prepared by using a metal component and only one type of bi‐ or polydentate ligand (L) can be classified in the homoleptic series of complexes. On the other hand, the less explored heteroleptic series of complexes are obtained by using a metal component and at least two different types of non‐chelating bi‐ or polydentate ligands (such as La and Lb). Methods that allow the controlled generation of single, discrete heteroleptic complexes are less understood. A survey of palladium(II)‐based self‐assembled coordination cages that are heteroleptic has been made. This review article illustrates a systematic collection of such architectures and credible justification of their formation, along with reported functional aspects of the complexes. The collected heteroleptic assemblies are classified here into three sections: 1) [(PdL′)m(La)x(Lb)y]‐type complexes, in which the denticity of La and Lb is equal; 2) [(PdL′)m(La)x(Lb)y]‐type complexes, in which the denticity of La and Lb is different; and 3) [Pdm(La)x(Lb)y]‐type complexes, in which the denticity of La and Lb is equal. Representative examples of some important homoleptic architectures are also provided, wherever possible, to set a background for a better understanding of the related heteroleptic versions. The purpose of this review is to pave the way for the construction of several unique heteroleptic coordination assemblies that might exhibit emergent supramolecular functions. Show less
no PDF DOI: 10.1002/chem.201900831
Bi La Pd coordination-chemistry review
Bevernaegie R, Doix B, Bastien E +4 more · 2019 · Journal of the American Chemical Society · ACS Publications · added 2026-05-01
Among all molecules developed for anticancer therapies, photodynamic therapeutic agents have a unique profile. Their maximal activity is specifically triggered in tumors by light, and toxicity of even Show more
Among all molecules developed for anticancer therapies, photodynamic therapeutic agents have a unique profile. Their maximal activity is specifically triggered in tumors by light, and toxicity of even systemically delivered drug is prevented in nonilluminated parts of the body. Photosensitizers exert their therapeutic effect by producing reactive oxygen species via a light-activated reaction with molecular oxygen. Consequently, the lowering of pO2 deep in solid tumors limits their treatment and makes essential the design of oxygen-independent sensitizers. In this perspective, we have recently developed Ir(III)-based molecules able to oxidize biomolecules by type I processes under oxygen-free conditions. We examine here their phototoxicity in relevant biological models. We show that drugs, which are mitochondria-accumulated, induce upon light irradiation a dramatic decrease of the cell viability, even under low oxygen conditions. Finally, assays on 3D tumor spheroids highlight the importance of the light-activation step and the oxygen consumption rate on the drug activity. Show less
📄 PDF DOI: 10.1021/jacs.9b07723
Biometal apoptosis
J. J. Lyamzaev, Y. Y. Tyurina, D. Mohammadyani +85 more · 2019 · Oxidative Medicine and Cellular Longevity · added 2026-04-20
Peroxidation of cardiolipin (CL) in the inner mitochondrial membrane plays a key role in the development of various pathologies and, probably, aging. The four fatty acid tails of CL are usually polyun Show more
Peroxidation of cardiolipin (CL) in the inner mitochondrial membrane plays a key role in the development of various pathologies and, probably, aging. The four fatty acid tails of CL are usually polyunsaturated, which makes CL particularly sensitive to peroxidation. Peroxidation of CL is involved in the initiation of apoptosis, as well as in some other important cellular signaling chains. However, the studies of CL peroxidation are strongly limited by the lack of methods for its tracing in living cells. We have synthesized a new mitochondria-targeted fluorescent probe sensitive to lipid peroxidation (dubbed MitoCLox), where the BODIPY fluorophore, carrying a diene-containing moiety (as in the C11-BODIPY (581/591) probe), is conjugated with a triphenylphosphonium cation (TPP + ) via a long flexible linker that contains two amide bonds. The oxidation of MitoCLox could be measured either as a decrease of absorbance at 588 nm or as an increase of fluorescence in the ratiometric mode at 520/590 nm (emission). In CL-containing liposomes, MitoCLox oxidation was induced by cytochrome c and developed in parallel with cardiolipin oxidation. TPP + -based mitochondria-targeted antioxidant SkQ1, in its reduced form, inhibited oxidation of MitoCLox concurrently with the peroxidation of cardiolipin. Molecular dynamic simulations of MitoCLox in a cardiolipin-containing membrane showed affinity of positively charged MitoCLox to negatively charged CL molecules; the oxidizable diene moiety of MitoCLox resided on the same depth as the cardiolipin lipid peroxides. We suggest that MitoCLox could be used for monitoring CL oxidation in vivo and, owing to its flexible linker, also serve as a platform for producing peroxidation sensors with affinity to particular lipids. Show less
📄 PDF DOI: 10.1155/2019/9710208
imaging mitochondria synthesis
Jia Li, Hongmin Chen, Leli Zeng +5 more · 2019 · Inorganic Chemistry Frontiers · Royal Society of Chemistry · added 2026-05-01
📄 PDF DOI: 10.1039/C9QI00081J
Biometal
Wang W, Xu J, Chong J +1 more · 2019 · DNA repair · Elsevier · added 2026-04-20
Wang W, Xu J, Chong J, Wang D Show less
Eukaryotic transcription-coupled nucleotide excision repair (TC-NER) is a pathway that removes DNA lesions capable of blocking RNA polymerase II (Pol II) transcription from the template strand. This p Show more
Eukaryotic transcription-coupled nucleotide excision repair (TC-NER) is a pathway that removes DNA lesions capable of blocking RNA polymerase II (Pol II) transcription from the template strand. This process is initiated by lesion-arrested Pol II and the recruitment of Cockayne Syndrome B protein (CSB). In this review, we will focus on the lesion recognition steps of eukaryotic TC-NER and summarize the recent research progress toward understanding the structural basis of Pol II-mediated lesion recognition and Pol II-CSB interactions. We will discuss the roles of CSB in both TC-NER initiation and transcription elongation. Finally, we propose an updated model of tripartite lesion recognition and verification for TC-NER in which CSB ensures Pol II-mediated recognition of DNA lesions for TC-NER. Show less
no PDF DOI: 10.1016/j.dnarep.2018.08.006
amino-acid review
Yang Y, Bin YD, Qin QP +3 more · 2019 · ACS Medicinal Chemistry Letters · ACS Publications · added 2026-05-01
Eight novel Ir(III) complexes listed as [Ir(H-P)2(P)]PF6 (PyP-Ir), [Ir(H-P)2(dMP)]PF6 (PydMP-Ir), [Ir(H-P)2(MP)]PF6 ( Show more
Eight novel Ir(III) complexes listed as [Ir(H-P)2(P)]PF6 (PyP-Ir), [Ir(H-P)2(dMP)]PF6 (PydMP-Ir), [Ir(H-P)2(MP)]PF6 (PyMP-Ir), [Ir(H-P)2(tMP)]PF6 (PytMP-Ir), [Ir(MPy)2(P)]PF6 (MPyP-Ir), [Ir(MPy)2(dMP)]PF6 (MPydMP-Ir), [Ir(MPy)2(MP)]PF6 (MPyMP-Ir), [Ir(MPy)2((tMP)]PF6 (MPytMP-Ir) with 2-phenylpyri-dine (H-P) and 3-methyl-2-phenylpyridine (MPy) as ancillary ligands and pyrido-[3,2-a]-pyrido[1',2':1,2]imidazo[4,5-c]phenazine (P), 12,13-dimethyl pyrido-[3,2-a]-pyrido[1',2':1,2]-imidazo-[4,5-c]-phenazine (dMP), 2-methylpyrido [3,2-a]-pyrido-[1',2':1,2]-imidazo-[4,5-c]-phenazine (MP), and 2,12,13-trimethylpyrido-[3,2-a]-pyrido-[1',2':1,2]-imidazo-[4,5-c]-phenazine (tMP) as main ligands, respectively, were designed and synthesized to fully characterize and explore the effect of their toxicity on cancer cells. Cytotoxic mechanism studies demonstrated that the eight Ir(III) complexes exhibited highly potent antitumor activity selectively against cancer cell lines NCI-H460, T-24, and HeLa, and no activity against HL-7702, a noncancerous cell line. Among the eight Ir(III) complexes, MPytMP-Ir exhibited the highest cytotoxicity with an IC50 = 5.05 ± 0.22 nM against NCI-H460 cells. The antitumor activity of MPytMP-Ir in vitro could be contributed to the steric or electronic effect of the methyl groups, which induced telomerase inhibition and damaged mitochondria in NCI-H460 cells. More importantly, MPytMP-Ir displayed a superior inhibitory effect on NCI-H460 xenograft in vivo than cisplatin. Our work demonstrates that MPytMP-Ir could potentially be developed as a novel potent Ir-based antitumor drug. Show less
📄 PDF DOI: 10.1021/acsmedchemlett.9b00337
Biometal apoptosis
Shenghua Shi, Huimin Lu, Tongguo Shi +96 more · 2019 · Cell Death & Disease · Nature · added 2026-04-20
Accumulating evidence suggests that aerobic glycolysis is important for colorectal cancer (CRC) development. However, the underlying mechanisms have yet to be elucidated. B7-H3, an immunoregulatory pr Show more
Accumulating evidence suggests that aerobic glycolysis is important for colorectal cancer (CRC) development. However, the underlying mechanisms have yet to be elucidated. B7-H3, an immunoregulatory protein, is broadly overexpressed by multiple tumor types and plays a vital role in tumor progression. In this study, we found that overexpression of B7-H3 effectively increased the rate of glucose consumption and lactate production, whereas knockdown of B7-H3 had the opposite effect. Furthermore, we showed that B7-H3 increased glucose consumption and lactate production by promoting hexokinase 2 (HK2) expression in CRC cells, and we also found that HK2 was a key mediator of B7-H3-induced CRC chemoresistance. Depletion of HK2 expression or treating cells with HK2 inhibitors could reverse the B7-H3-induced increase in aerobic glycolysis and B7-H3-endowed chemoresistance of cancer cells. Moreover, we verified a positive correlation between the expression of B7-H3 and HK2 in tumor tissues of CRC patients. Collectively, our findings suggest that B7-H3 may be a novel regulator of glucose metabolism and chemoresistance via controlling HK2 expression in CRC cells, a result that could help develop B7-H3 as a promising therapeutic target for CRC treatment. Show less
📄 PDF DOI: 10.1038/s41419-019-1549-6
amino-acid
Chen JC, Zhang Y, Jie XM +7 more · 2019 · Journal of Inorganic Biochemistry · Elsevier · added 2026-05-01
Thioredoxin reductase (TrxR), a major component of the thioredoxin system, makes a critical role in regulating cellular redox signaling and is found to be overexpressed in many human cancer cells. Trx Show more
Thioredoxin reductase (TrxR), a major component of the thioredoxin system, makes a critical role in regulating cellular redox signaling and is found to be overexpressed in many human cancer cells. TrxR has become an attractive target for anticancer agents. In this work, three Ru(II) complexes with salicylate as ligand, [Ru(phen)2(SA)] (phen = 1,10-phenanthroline, SA = salicylate, 1), [Ru(dmb)2(SA)] (dmb = 4,4'-dimethyl-2,2'-bipyridine, 2) and [Ru(bpy)2(SA)] (bpy = 2,2'-bipyridine, 3), were synthesized and characterized. The anticancer effect exerted by them was evaluated. Complex 1 was found to exhibit obvious anticancer activity, in comparison with cisplatin, against cancer cell lines, while displaying low toxicity to the normal cell line BEAS-2B. The mechanism of complex 1 cancer cell growth suppress was investigated in A549 cells. Complex 1 exerted its anticancer through inducing apoptosis and triggering cell cycle arrest at the G0/G1 phase. Complex 1 can selectively inhibit TrxR activity and thus promote the generation and accumulation of reactive oxygen species (ROS), which subsequently trigger mitochondrial dysfunction and DNA damage, activate oxidative stress-sensitive mitogen activated protein kinase (MAPK), and suppress the protein kinase B (PKB or AKT) signal pathway, resulting in apoptosis in A549 cells. Show less
📄 PDF DOI: 10.1016/j.jinorgbio.2019.01.011
Biometal
Bhumika Ray, Bhumika Gupta, Ranjana Mehrotra · 2019 · Journal of biomolecular structure & dynamics · Taylor & Francis · added 2026-04-20
Platinum-derived chemodrugs constitute an active class in cancer therapeutics. Besides being potent against various solid tumors, oxaliplatin has been recognized as the first platinum compound to be a Show more
Platinum-derived chemodrugs constitute an active class in cancer therapeutics. Besides being potent against various solid tumors, oxaliplatin has been recognized as the first platinum compound to be approved for the treatment of colorectal cancer. Structurally, oxaliplatin consists of a platinum metal complexed to oxalate and diaminocyclohexane (DACH) and exert its anticancer action by inhibiting DNA replication and transcription. The present study highlights the binding properties of oxaliplatin with calf thymus DNA using spectroscopic methods to comprehend its binding mechanism at molecular level to overcome associated cellular resistance and side effects. Attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopic outcomes confirm that oxaliplatin is a covalent binding agent and also provide sequence specificity in DNA molecule. Infrared spectral results further indicate that oxaliplatin alkylates purine nitrogenous bases majorly guanine residues (G) in the major groove via formation of either interstrand or intrastrand guanine-guanine d(GpG) and guanine-adenine d(GpA) (N7 position) crosslinks accompanied with a slight external binding to sugar-phosphate backbone. Again, circular dichroism (CD) spectroscopic results suggest subtle conformational changes in DNA molecule due to its complexation with oxaliplatin and duplex attains an intermediate conformational state, having characteristics of both B- and C-forms. Further, a moderate binding strength of 4.12 ± 0.2 × 104 M-1 for the interaction has been estimated via ultraviolet-visible spectroscopy. The inferences obtained from these investigations are encouraging and can form the basis for further exploration in the field of rational drug development based on platinum compounds possessing preferential binding for nucleic acid with improved competence. Communicated by Ramaswamy H. Sarma. Show less
no PDF DOI: 10.1080/07391102.2018.1531059
Pt anticancer carboxylate coordination-chemistry
Paul B Rimmer, Oliver Shorttle · 2019 · Life · MDPI · added 2026-04-20
There are two dominant and contrasting classes of origin of life scenarios: those predicting that life emerged in submarine hydrothermal systems, where chemical disequilibrium can provide an energy so Show more
There are two dominant and contrasting classes of origin of life scenarios: those predicting that life emerged in submarine hydrothermal systems, where chemical disequilibrium can provide an energy source for nascent life; and those predicting that life emerged within subaerial environments, where UV catalysis of reactions may occur to form the building blocks of life. Here, we describe a prebiotically plausible environment that draws on the strengths of both scenarios: surface hydrothermal vents. We show how key feedstock molecules for prebiotic chemistry can be produced in abundance in shallow and surficial hydrothermal systems. We calculate the chemistry of volcanic gases feeding these vents over a range of pressures and basalt C/N/O contents. If ultra-reducing carbon-rich nitrogen-rich gases interact with subsurface water at a volcanic vent they result in 10 - 3 ⁻ 1 M concentrations of diacetylene (C₄H₂), acetylene (C₂H₂), cyanoacetylene (HC₃N), hydrogen cyanide (HCN), bisulfite (likely in the form of salts containing HSO₃-), hydrogen sulfide (HS-) and soluble iron in vent water. One key feedstock molecule, cyanamide (CH₂N₂), is not formed in significant quantities within this scenario, suggesting that it may need to be delivered exogenously, or formed from hydrogen cyanide either via organometallic compounds, or by some as yet-unknown chemical synthesis. Given the likely ubiquity of surface hydrothermal vents on young, hot, terrestrial planets, these results identify a prebiotically plausible local geochemical environment, which is also amenable to future lab-based simulation. Show less
no PDF DOI: 10.3390/life9010012
Fe catalysis coordination-chemistry synthesis
Vinod Kumar Subramani, Subramaniyam Ravichandran, Varun Bansal +1 more · 2019 · Biochemical and biophysical research communications · Elsevier · added 2026-04-20
The crystal structure of BZ-junction reveals that left-handed Z-DNA stabilized by Z-DNA binding domain (Zα) is continuously stacked to right-handed B-DNA with AT bases' extrusion in the junction site. Show more
The crystal structure of BZ-junction reveals that left-handed Z-DNA stabilized by Z-DNA binding domain (Zα) is continuously stacked to right-handed B-DNA with AT bases' extrusion in the junction site. However, this structure might not fully represent the BZ-junction in solution due to the possibility of the junction formation either by crystal packing or Zα interaction. Therefore, we investigated BZ-junction in solution with chemical Z-DNA inducers using CD and 2-aminopurine base-extrusion assay. We confirmed the formation of Z-DNA and BZ-junction with base-extrusion by chemical Z-DNA inducers. However, neither typical Z-DNA nor base-extrusion could be detected with some inducers such as spermine, suggesting that the energy barrier for the formation of the BZ junction might vary depending on the Z-DNA induction conditions. Show less
no PDF DOI: 10.1016/j.bbrc.2018.12.045
DNA-binding X-ray
William F Martin · 2019 · Trends in biochemical sciences · Elsevier · added 2026-04-20
Submarine hydrothermal vents are rich in hydrogen (H2), an ancient source of electrons and chemical energy for life. Geochemical H2 stems from serpentinization, a process in which rock-bound iron redu Show more
Submarine hydrothermal vents are rich in hydrogen (H2), an ancient source of electrons and chemical energy for life. Geochemical H2 stems from serpentinization, a process in which rock-bound iron reduces water to H2. Reactions involving H2 and carbon dioxide (CO2) in hydrothermal systems generate abiotic methane and formate; these reactions resemble the core energy metabolism of methanogens and acetogens. These organisms are strict anaerobic autotrophs that inhabit hydrothermal vents and harness energy via H2-dependent CO2 reduction. Serpentinization also generates native metals, which can reduce CO2 to formate and acetate in the laboratory. The enzymes that channel H2, CO2, and dinitrogen (N2) into methanogen and acetogen metabolism are the backbone of the most ancient metabolic pathways. Their active sites share carbon-metal bonds which, although rare in biology, are conserved relics of primordial biochemistry present at the origin of life. Show less
no PDF DOI: 10.1016/j.tibs.2019.04.010
Fe
Michael G Kemp · 2019 · The Enzymes · Elsevier · added 2026-04-20
The nucleotide excision repair (NER) system removes a variety of types of helix-distorting lesions from DNA through a dual incision mechanism, in which the damaged nucleotide bases are excised in the Show more
The nucleotide excision repair (NER) system removes a variety of types of helix-distorting lesions from DNA through a dual incision mechanism, in which the damaged nucleotide bases are excised in the form of a small, excised, damage-containing single-stranded DNA oligonucleotide (sedDNA). Damage removal leaves a gap in the DNA template that must then be filled in by the action of a DNA polymerase and ligated to the downstream phosphodiester backbone in the DNA to complete the repair reaction. Defects in damage removal, sedDNA processing, or gap filling have the potential to be mutagenic and lethal to cells, and thus several human pathologies, including cancer and aging, are associated with defects in NER. This review summarizes our current understanding of NER with a focus on the enzymes that excise sedDNAs and restore the duplex DNA to its native state in human cells. Show less
no PDF DOI: 10.1016/bs.enz.2019.06.001
review
Jianfu Zhao, Xiang Zhang, Hongxing Liu +3 more · 2019 · Journal of Organometallic Chemistry · Elsevier · added 2026-05-01
📄 PDF DOI: 10.1016/j.jorganchem.2019.07.020
Biometal
He L, Pan ZY, Qin WW +3 more · 2019 · Dalton Transactions · Royal Society of Chemistry · added 2026-05-01
Lysosomes play a critical role in the autophagy process. The impairment of lysosomes can affect the degradation of autophagic cargo, leading to the blockage of autophagy at the lysosomal stage and sub Show more
Lysosomes play a critical role in the autophagy process. The impairment of lysosomes can affect the degradation of autophagic cargo, leading to the blockage of autophagy at the lysosomal stage and subsequent cell death. Herein, two phosphorescent Re(i) tricarbonyl complexes (Re1 and Re2) bearing β-carboline derivatives have been synthesized and characterized. Both complexes show pH-dependent phosphorescence, which can be used to specifically image the lysosomes. Cytotoxicity assay shows that they exhibit high anticancer activity and are able to overcome cross-resistance to cisplatin. Re2 can induce autophagy, which is blocked at the lysosomal stage due to lysosomal dysfunction, such as the decrease of cathepsin B activity, subsequently leading to both autophagy and apoptosis dependent cell death. In vivo studies revealed that it could significantly inhibit tumor growth. Show less
📄 PDF DOI: 10.1039/c9dt00322c
Biometal
2019 · Annual Review of Pharmacology and Toxicology · added 2026-04-20
The transcription factor nuclear factor erythroid 2 (NF-E2)-related factor 2 (NRF2) is a central regulator of redox, metabolic, and protein homeostasis that intersects with many other signali Show more
The transcription factor nuclear factor erythroid 2 (NF-E2)-related factor 2 (NRF2) is a central regulator of redox, metabolic, and protein homeostasis that intersects with many other signaling cascades. Although the understanding of the complex nature of NRF2 signaling continues to grow, there is only one therapeutic targeting NRF2 for clinical use, dimethyl fumarate, used for the treatment of multiple sclerosis. The discovery of new therapies is confounded by the fact that NRF2 levels vary significantly depending on physiological and pathological context. Thus, properly timed and targeted manipulation of the NRF2 pathway is critical in creating effective therapeutic regimens. In this review, we summarize the regulation and downstream targets of NRF2. Furthermore, we discuss the role of NRF2 in cancer, neurodegeneration, and diabetes as well as cardiovascular, kidney, and liver disease, with a special emphasis on NRF2-based therapeutics, including those that have made it into clinical trials. Show less
no PDF DOI: 10.1146/annurev-pharmtox-010818-021856
Cecilia R. Madzivire, Pablo Caramés-Méndez, Christopher M. Pask +3 more · 2019 · Inorganica Chimica Acta · Elsevier · added 2026-05-01
📄 PDF DOI: 10.1016/j.ica.2019.119025
Biometal
Radzisheuskaya, Aliaksandra, Shliaha, Pavel V., Grinev, Vasily +7 more · 2019 · Nature Publishing Group · Nature · added 2026-04-20
The arginine methyltransferase PRMT5 modifies the splicing regulator SRSF1 and affects acute myeloid leukemia cell survival by modulating SRSF1 function.
📄 PDF DOI: 10.1038/s41594-019-0313-z
acute myeloid leukemia bioinorganic regulation cancer cell survival mass spectrometry methylome profiling prmt5 protein
Savić A, Gligorijević N, Aranđelović S +5 more · 2019 · Journal of Inorganic Biochemistry · Elsevier · added 2026-05-01
The monocationic chloro complexes containing chelating N∩N ligands: [(η6-p-cymene)Ru(L1-4)Cl]+ (1-4), where L1 = 4-methyl-1,10-phenantroline, L2 = dipyrido[3,2-a:2',3'-c]phenazin Show more
The monocationic chloro complexes containing chelating N∩N ligands: [(η6-p-cymene)Ru(L1-4)Cl]+ (1-4), where L1 = 4-methyl-1,10-phenantroline, L2 = dipyrido[3,2-a:2',3'-c]phenazine, L3 = 11-chloro-dipyrido[3,2-a:2',3'-c]phenazine, L4 = 11-nitro-dipyrido[3,2-a:2',3'-c]phenazine; p-cymene = 1-methyl-4-isopropylbenzene) have been prepared and characterized as the hexafluorophosphate salts. The biological activity of 1-4 has been investigated in selected 2D monolayer cell cultures (A549, PANC-1, MDA-MB-231, MRC-5). All investigated ruthenium complexes showed similar or even better cytotoxicity to cisplatin. However, there was no significant reduction in growth of PANC-1 cells in a 3D cell culture of multicellular tumor spheroids (MCTS) after treatment with 2-4, while the cisplatin treatment induced retardation in MCTS growth. Flow cytometry analysis of the cell cycle of PANC-1 cells shows that 3 caused changes of cell cycle phase distribution characterized by slight accumulation of cells in the G2-M phase. Absence of the Sub-G1 phase in the cell cycle of the treated cells indicated that there was no fragmentation of DNA for the analyzed time intervals (48 and 72 h treatment). Fluorescent microscopy, after acridine orange/ethidium bromide staining, revealed that the investigated ruthenium complexes induced some characteristics of apoptotic morphology (shrinking and condensation of chromatin) with notably preserved integrity of the plasma membrane. Investigation of cellular uptake and DNA - fraction accumulation performed by inductively coupled plasma mass spectrometry in PANC-1 cells with equimolar concentrations (5 μM) of 2-4 and cisplatin showed more efficient cellular uptake and DNA - fraction accumulation of complex 3 compared to complexes 2 and 4. Show less
📄 PDF DOI: 10.1016/j.jinorgbio.2019.110869
Biometal
2019 · Frontiers in Oncology · Frontiers · added 2026-05-21
TLDR: Analysis of the anti-tumor properties of a gold(I) N-heterocyclic carbene (NHC) complex–termed MC3–in human colorectal cancer cell lines suggests that this small molecule has anti-cancer propert Show more
TLDR: Analysis of the anti-tumor properties of a gold(I) N-heterocyclic carbene (NHC) complex–termed MC3–in human colorectal cancer cell lines suggests that this small molecule has anti-cancer properties in the context of deficient or mutant p53 and may therefore have chemotherapeutic potential for clinical application. Show less
no PDF DOI: 10.3389/fonc.2019.00438
Namiecińska E, Sadowska B, Więckowska-Szakiel M +4 more · 2019 · RSC Advances · Royal Society of Chemistry · added 2026-05-01
Ruthenium(ii) complexes are lately of great scientific interest due to their chemotherapeutic potential as anticancer and antimicrobial agents. Here we present the synthesis of new pyrazole carbothioa Show more
Ruthenium(ii) complexes are lately of great scientific interest due to their chemotherapeutic potential as anticancer and antimicrobial agents. Here we present the synthesis of new pyrazole carbothioamide derivatives and their four arene-ruthenium complexes. The title compounds were characterized with the application of IR, NMR, mass spectrometry, elemental analysis and X-ray diffraction. Additionally, for new complexes DFT calculations were done. Their antimicrobial activity (MIC, MBC/MFC) was examined in vitro against Staphylococcus aureus, Staphylococcus epidermidis, Enterococcus faecalis, Pseudomonas aeruginosa, Proteus vulgaris and Candida albicans. Their cytotoxic effects, using the MTT assay, against three cancer cell lines: HL-60, NALM-6, WM-115 and normal human foreskin fibroblasts (HFF-1) were also investigated. The influence of the new arene-ruthenium(ii) complexes on the DNA structure was also tested. From our results, compound 2d showed higher cytotoxicity against melanoma cell line WM-115 than cisplatin. Strong biostatic and biocidal activity of the tested complexes against Gram-positive bacteria, including S. aureus, S. epidermidis and E. faecalis was demonstrated. The new arene-ruthenium(ii) compounds could not only inhibit proliferation of cancer cells, but also protect patients against malignant wound infections. Show less
📄 PDF DOI: 10.1039/c9ra08736b
Biometal
Zhang LX, Gu YY, Wang YJ +6 more · 2019 · Molecules · MDPI · added 2026-05-01
Three iridium(III) complexes ([Ir(Hppy)2(L)](PF6) (Hppy = 2-phenylpyridine, L = 5-nitrophenanthroline, NP), 1; 5-nitro-6-amino-phenanthroline (NAP), 2; and 5,6-diam Show more
Three iridium(III) complexes ([Ir(Hppy)2(L)](PF6) (Hppy = 2-phenylpyridine, L = 5-nitrophenanthroline, NP), 1; 5-nitro-6-amino-phenanthroline (NAP), 2; and 5,6-diamino-phenanthroline (DAP) 3 were synthesized and characterized. The cytotoxicities of Ir(III) complexes 1-3 against cancer cell lines SGC-7901, A549, HeLa, Eca-109, HepG2, BEL-7402, and normal NIH 3T3 cells were investigated using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-tetrazoliumbromide (MTT) method. The results showed that the three iridium(III) complexes had moderate in vitro anti-tumor activity toward SGC-7901 cells with IC50 values of 3.6 ± 0.1 µM for 1, 14.1 ± 0.5 µM for 2, and 11.1 ± 1.3 µM for 3. Further studies showed that 1-3 induce cell apoptosis/death through DNA damage, cell cycle arrest at the S or G0/G1 phase, ROS elevation, increased levels of Ca2+, high mitochondrial membrane depolarization, and cellular ATP depletion. Transwell and Colony-Forming assays revealed that complexes 1-3 can also effectively inhibit the metastasis and proliferation of tumor cells. These results demonstrate that 1-3 induce apoptosis in SGC-7901 cells through ROS-mediated mitochondrial damage and DNA damage pathways, as well as by inhibiting cell invasion, thereby exerting anti-tumor cell proliferation activity in vitro. Show less
📄 PDF DOI: 10.3390/molecules24173129
Biometal apoptosis
Mehanna S, Mansour N, Audi H +5 more · 2019 · RSC Advances · Royal Society of Chemistry · added 2026-05-01
The use of ruthenium complexes as chemotherapeutic agents has been recently explored as one of the alternatives to conventional treatments. In the present study, two Ru(ii) polypyridyl complexes were Show more
The use of ruthenium complexes as chemotherapeutic agents has been recently explored as one of the alternatives to conventional treatments. In the present study, two Ru(ii) polypyridyl complexes were synthesized and characterized: a strained [Ru(bipy)2(BC)]Cl2 (complex 1) where [bipy = 2,2'-bipyridine and BC = bathocuproine] along with the unstrained control [Ru(bipy)2(phen)]Cl2 (complex 2) where [phen = 1,10-phenanthroline]. The photophysical and photochemical analyses proved that unlike the photostable complex 2, complex 1 ejected both bipy and BC ligands at a ratio of 3 : 1 respectively. Results showed that the activity of complex 1 was significantly enhanced upon photoactivation. The response was however particularly significant in B16-F10 melanoma cells where phototoxicity index (PI = IC50 dark/IC50 light) was >900. When compared to cisplatin, the photoproducts were more potent against all tested cell lines, implying that the complex acquired significant chemotherapeutic potential upon irradiation. Cellular uptake of complex 1 and the free BC ligand were found to be significantly facilitated as evidenced by 400-600 fold increase in concentration of the compounds inside the cells relative to the extracellular culture medium. Complex 2 exhibited 35 times lower cellular concentration relative to complex 1. Flow cytometry and plasmid DNA gel electrophoresis measurements showed that complex 1 interacts with DNA inducing apoptosis in the dark and either late-apoptosis or necrosis upon irradiation. These findings corroborate the importance of lipophilic ligands such as BC to enhance uptake and subsequently improve the photochemotherapy potential of Ru(ii) polypyridyl complexes. Show less
📄 PDF DOI: 10.1039/C9RA02615K
Biometal
Jenna Susan Bleloch, André du Toit, Liezl Gibhard +8 more · 2019 · Cell Death Discovery · Nature · added 2026-04-20
Rhabdomyosarcoma (RMS) forms in skeletal muscle and is the most common soft tissue sarcoma in children and adolescents. Current treatment is associated with debilitating side effects and treatment out Show more
Rhabdomyosarcoma (RMS) forms in skeletal muscle and is the most common soft tissue sarcoma in children and adolescents. Current treatment is associated with debilitating side effects and treatment outcomes for patients with metastatic disease are dismal. Recently, a novel binuclear palladacycle, AJ-5, was shown to exert potent cytotoxicity in melanoma and breast cancer and to present with negligible adverse effects in mice. This study investigates the anti-cancer activity of AJ-5 in alveolar and embryonal RMS. IC50 values of ≤ 0.2 µM were determined for AJ-5 and it displayed a favourable selectivity index of >2. Clonogenic and migration assays showed that AJ-5 inhibited the ability of RMS cells to survive and migrate, respectively. Western blotting revealed that AJ-5 induced levels of key DNA damage response proteins (γH2AX, p-ATM and p-Chk2) and the p38/MAPK stress pathway. This correlated with an upregulation of p21 and a G1 cell cycle arrest. Annexin V-FITC/propidium iodide staining revealed that AJ-5 induced apoptosis and necrosis. Apoptosis was confirmed by the detection of cleaved PARP and increased levels and activity of cleaved caspases-3, -7, -8 and -9. Furthermore, AJ-5 reduced autophagic flux as shown by reduced LC3II accumulation in the presence of bafilomycin A1 and a significant reduction in autophagosome flux J. Finally, pharmacokinetic studies in mice show that AJ-5 has a promising half-life and that its volume of distribution is high, its clearance low and its intraperitoneal absorption is good. Together these findings suggest that AJ-5 may be an effective chemotherapeutic with a desirable mechanism of action for treating drug-resistant and advanced sarcomas. Show less
📄 PDF DOI: 10.1038/s41420-019-0139-9
DNA-binding anticancer
Johannes Karges, Olivier Blacque, Philippe Goldner +2 more · 2019 · European Journal of Inorganic Chemistry · Wiley · added 2026-05-01
📄 PDF DOI: 10.1002/ejic.201900569
Biometal
Qiu K, Wen Y, Ouyang C +6 more · 2019 · Chemical Communications · Royal Society of Chemistry · added 2026-05-01
Ru(ii) polypyridyl complexes, containing a morpholine moiety, and possessing two-photon absorption properties and pH dependent singlet oxygen production were used for stepwise lysosomes-to-mitochondri Show more
Ru(ii) polypyridyl complexes, containing a morpholine moiety, and possessing two-photon absorption properties and pH dependent singlet oxygen production were used for stepwise lysosomes-to-mitochondria photodamage of cancer cells. Show less
📄 PDF DOI: 10.1039/c9cc05962h
Biometal
Shouhai Guan, Tao Pan, Yanyang Zhang +10 more · 2019 · Journal of Coordination Chemistry · Taylor & Francis · added 2026-05-01
📄 PDF DOI: 10.1080/00958972.2019.1630614
Biometal
2019 · Shi et al. Cell Death and Disease · Nature · added 2026-04-21
Accumulating evidence suggests that aerobic glycolysis is important for colorectal cancer (CRC) development. However, the underlying mechanisms have yet to be elucidated. B7-H3, an immunoregulatory pr Show more
Accumulating evidence suggests that aerobic glycolysis is important for colorectal cancer (CRC) development. However, the underlying mechanisms have yet to be elucidated. B7-H3, an immunoregulatory protein, is broadly overexpressed by multiple tumor types and plays a vital role in tumor progression. In this study, we found that overexpression of B7-H3 effectively increased the rate of glucose consumption and lactate production, whereas knockdown of B7-H3 had the opposite effect. Furthermore, we showed that B7-H3 increased glucose consumption Show less
📄 PDF DOI: 10.1038/s41419-019-1549-6
aerobic glycolysis cancer cellular metabolism regulation chemoresistance colorectal cancer hexokinase 2 hk2 hk2 inhibitors
Emily C Sutton, Christine E McDevitt, Jack Y Prochnau +6 more · 2019 · Journal of the American Chemical Society · ACS Publications · added 2026-04-20
Platinum(II) compounds are a critical class of chemotherapeutic agents. Recent studies have highlighted the ability of a subset of Pt(II) compounds, including oxaliplatin but not cisplatin, to induce Show more
Platinum(II) compounds are a critical class of chemotherapeutic agents. Recent studies have highlighted the ability of a subset of Pt(II) compounds, including oxaliplatin but not cisplatin, to induce cytotoxicity via nucleolar stress rather than a canonical DNA damage response. In this study, influential properties of Pt(II) compounds were investigated using redistribution of nucleophosmin (NPM1) as a marker of nucleolar stress. NPM1 assays were coupled to calculated and measured properties such as compound size and hydrophobicity. The oxalate leaving group of oxaliplatin is not required for NPM1 redistribution. Interestingly, although changes in diaminocyclohexane (DACH) ligand ring size and aromaticity can be tolerated, ring orientation appears important for stress induction. The specificity of ligand requirements provides insight into the striking ability of only certain Pt(II) compounds to activate nucleolar processes. Show less
no PDF DOI: 10.1021/jacs.9b10319
DNA-binding Pt anticancer carboxylate
Varadwaj, Pradeep R., Varadwaj, Arpita, Marques, Helder M. +1 more · 2019 · Nature Publishing Group · Nature · added 2026-04-20
The CH3NH3PbI3 (methylammonium lead triiodide) perovskite semiconductor system has been viewed as a blockbuster research material during the last five years. Because of its complicated architecture, s Show more
The CH3NH3PbI3 (methylammonium lead triiodide) perovskite semiconductor system has been viewed as a blockbuster research material during the last five years. Because of its complicated architecture, several of its technological, physical and geometrical issues have been examined many times. Yet this has not assisted in overcoming a number of problems in the field nor in enabling the material to be marketed. For instance, these studies have not clarified the nature and type of hydrogen bonding and other noncovalent interactions involved; the origin of hysteresis; the actual role of the methylammonium cation; the nature of polarity associated with the tetragonal geometry; the unusual origin of various frontier orbital contributions to the conduction band minimum; the underlying phenomena of spin-orbit coupling that causes significant bandgap reduction; and the nature of direct-to-indirect bandgap transition features. Arising from many recent reports, it is now a common belief that the I···H–N interaction formed between the inorganic framework and the ammonium group of CH3NH3+ is the only hydrogen bonded interaction responsible for all temperature-dependent geometrical polymorphs of the system, including the most stable one that persists at low-temperatures, and the significance of all other noncovalent interactions has been overlooked. This study focussed only on the low temperature orthorhombic polymorph of CH3NH3PbI3 and CD3ND3PbI3, where D refers deuterium. Together with QTAIM, DORI and RDG based charge density analyses, the results of density functional theory calculations with PBE with and without van der Waals corrections demonstrate that the prevailing view of hydrogen bonding in CH3NH3PbI3 is misleading as it does not alone determine the a−b+a− tilting pattern of the PbI64− octahedra. This study suggests that it is not only the I···H/D–N, but also the I···H/D–C hydrogen/deuterium bonding and other noncovalent interactions (viz. tetrel-, pnictogen- and lump-hole bonding interactions) that are ubiquitous in the orthorhombic CH3NH3PbI3/CD3ND3PbI3 perovskite geometry. Their interplay determines the overall geometry of the polymorph, and are therefore responsible in part for the emergence of the functional optical properties of this material. This study also suggests that these interactions should not be regarded as the sole determinants of octahedral tilting since lattice dynamics is known to play a critical role as well, a common feature in many inorganic perovskites both in the presence and the absence of the encaged cation, as in CsPbI3/WO3 perovskites, for example. Show less
📄 PDF DOI: 10.1038/s41598-018-36218-1
DFT