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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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43 articles with selected tags
Lenis-Rojas OA, Cabral R, Carvalho B +8 more · 2021 · Inorganic Chemistry · ACS Publications · added 2026-05-01
A new series of half-sandwich ruthenium(II) compounds [(η6-arene)Ru(L)Cl][CF3SO3] bearing 1,2,3-triazole ligands (arene = p-cymene, L = L1 (1); ar Show more
A new series of half-sandwich ruthenium(II) compounds [(η6-arene)Ru(L)Cl][CF3SO3] bearing 1,2,3-triazole ligands (arene = p-cymene, L = L1 (1); arene = p-cymene, L = L2 (2); arene = benzene, L = L1 (3); arene = benzene, L2 (4); L1 = 2-[1-(p-tolyl)-1H-1,2,3-triazol-4-yl]pyridine and L2 = 1,1'-di-p-tolyl-1H,1'H-4,4'-bi(1,2,3-triazole) have been synthesized and fully characterized by 1H and 13C NMR and IR spectroscopy, mass spectrometry, and elemental analysis. The molecular structures of 1, 2, and 4 have been determined by single-crystal X-ray diffraction. The cytotoxic activity of 1-4 was evaluated using the MTS assay against human tumor cells, namely ovarian carcinoma (A2780), colorectal carcinoma (HCT116), and colorectal carcinoma resistant to doxorubicin (HCT116dox), and against normal primary fibroblasts. Whereas compounds 2 and 4 showed no cytotoxic activity toward tumor cell lines, compounds 1 and 3 were active in A2780, while showing no antiproliferative effect in human normal dermal fibroblasts at the IC50 concentrations of the A2780 cell line. Exposure of ovarian carcinoma cells to IC50 concentrations of compound 1 or 3 led to an accumulation of reactive oxygen species and an increase of apoptotic and autophagic cells. While compound 3 displayed low levels of angiogenesis induction, compound 1 showed an ability to induce cell cycle delay and to interfere with cell migration. When the in vivo toxicity studies using zebrafish and chicken embryos are considered, compounds 1 and 3, which were not lethal, are promising candidates as anticancer agents against ovarian cancer due to their good cytotoxic activity in tumor cells and their low toxicity both in vitro and in vivo. Show less
📄 PDF DOI: 10.1021/acs.inorgchem.1c00527
Biometal apoptosis autophagy
Acharya S, Ghosh S, Maji M +3 more · 2020 · Chemical Communications · Royal Society of Chemistry · added 2026-05-01
The Ru(ii) complex of an imidazole-mesalazine Schiff base is a unique example showing growth inhibition of 3D-colon cancer stem cell spheroids and bulk colon cancer cells at lower dosage than salinomy Show more
The Ru(ii) complex of an imidazole-mesalazine Schiff base is a unique example showing growth inhibition of 3D-colon cancer stem cell spheroids and bulk colon cancer cells at lower dosage than salinomycin or oxaliplatin. Unlike oxaliplatin which increases the expression of stemness genes (SOX2, KLF4, HES1 and Oct4), these complexes maintain a tight regulation. Show less
📄 PDF DOI: 10.1039/d0cc00472c
Biometal apoptosis autophagy
Chen J, Tao Q, Wu J +7 more · 2020 · Journal of Inorganic Biochemistry · Elsevier · added 2026-05-01
Polypyridyl ruthenium complexes as novel photosensitizers had drawn attention due to its high selectivity towards cancer cells and low toxicity to normal cells. Herein, we synthesized a lysosome-targe Show more
Polypyridyl ruthenium complexes as novel photosensitizers had drawn attention due to its high selectivity towards cancer cells and low toxicity to normal cells. Herein, we synthesized a lysosome-targeted polypyridyl ruthenium complex Rhein-Ru(bpy)3 (bpy = 2,2'-bipyridine, rhein = 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid), tethering with the Chinese medicine herb rhein. Rhein-Ru(bpy)3 exhibited high phototoxicity with short time of irradiation against tumor cell lines with the IC50 value of 2.4- 8.7 μM, and higher cytotoxicity against cisplatin-resistant A2780 cell lines, suggesting that Rhein-Ru(bpy)3 could overcome the cisplatin resistance. Moreover, Rhein-Ru(bpy)3 displayed low cytotoxicity towards cell lines in dark incubation, which was beneficial to reduce the toxic side effects towards normal cell lines. Besides, the confocal imaging and western blotting assay results suggested that Rhein-Ru(bpy)3 could induce cancer cell death through the autophagy pathway. These results inspired us that lysosome-targeted photosensitizers based on ruthenium complexes showed great potential for photodynamic therapy (PDT) application in cancer treatment. Show less
📄 PDF DOI: 10.1016/j.jinorgbio.2020.111132
Biometal autophagy
Pernar M, Kokan Z, Kralj J +7 more · 2019 · Bioorganic Chemistry · Elsevier · added 2026-05-01
(p-Cymene)-ruthenium bioconjugates ML (1) and ML2 (2), bearing phosphane ligands substituted with chiral or non-chiral amino acid esters, L, were synthetized and characterized by instrument Show more
(p-Cymene)-ruthenium bioconjugates ML (1) and ML2 (2), bearing phosphane ligands substituted with chiral or non-chiral amino acid esters, L, were synthetized and characterized by instrumental methods (NMR, CD, MS) and DFT calculations (using the wB97xD functional). Cytotoxic activity of complexes 1 and 2 was investigated by using human cervical carcinoma cell line (HeLa) and MTT assay. Four (2pG, 2pA, 2mG and 2mA) out of ten synthesized ruthenium complexes showed significant toxicity, with IC50 values of 5-30 μM. Evaluation of the potential biomolecular targets of bioconjugates 2 by UV-Vis, fluorescence and CD spectroscopy revealed no measurable interaction with DNA, but micromolar affinity for proteins. The cytotoxicity of bioconjugates 2 is in correlation with their BSA binding constants, i. e. bioconjugates with lower IC50 values show higher binding affinities towards BSA. Compound 2mG with value of IC50 16 μM was selected for further biological characterization. The higher level of toxicity towards tumor compared to normal cell lines indicates its selective activity, important characteristic for potential medical use. It was detected 2mG caused increase of cells in the S phase of cell cycle and consequential decrease of cells in G0/G1 phase. Additionally, 2mG caused dose- and time-dependent increase of SubG0/G1 cell population, suggesting its ability to induce programmed cell death. Further investigation determined autophagy as the mode of cell death. The role of GSH in HeLa cells response to investigated organometallic ruthenium complexes was confirmed using specific regulators of GSH synthesis, buthionine sulfoximine and N-acetyl-cysteine. Pre-treatment of cells with ethacrynic acid and probenecid emphasized the role of GSH in detoxification of 2mG compound. The amount of total ruthenium accumulation in the cell did not correlate with toxicity of 2pG, 2pA, 2mG and 2mA, suggesting structure dependent differences in either cell uptake or kinetics of ruthenium complexes detoxification. We speculate that ruthenium complexes bind protein-based biomolecules further triggering cell death. Based on the gained knowledge, the synthesis and development of more tumor-specific ruthenium-based complexes as potential anticancer drugs can be expected. Show less
📄 PDF DOI: 10.1016/j.bioorg.2019.03.048
Biometal autophagy
Zhang WY, Wang YJ, Du F +5 more · 2019 · European Journal of Medicinal Chemistry · Elsevier · added 2026-05-01
This work mainly introduces the synthesis and characterization of three iridium(III) complexes [Ir(ppy)2(adppz)](PF6) (Ir-1), [Ir(bzq)2(addpz)](PF6) (Ir-2) Show more
This work mainly introduces the synthesis and characterization of three iridium(III) complexes [Ir(ppy)2(adppz)](PF6) (Ir-1), [Ir(bzq)2(addpz)](PF6) (Ir-2) and [Ir(piq)2(adppz)](PF6) (Ir-3). The complexes are more cytotoxic than cisplatin against tumor cell lines such as SGC-7901, A549, HeLa, Eca-109, HepG2 and BEL-7402. The toxicity test results indicated that complexes Ir-1, Ir-2 and Ir-3 can effectively inhibit the cell growth of SGC-7901 cells, and the measured IC50 values are 1.8 ± 0.4, 1.6 ± 0.3 and 0.8 ± 0.1 μM, respectively. AO/EB staining and flow apoptosis confirmed that SGC-7901 cells were caused apoptosis after being treated with the complexes. Along with the increase of endogenous ROS and Ca2+ levels, mitochondrial membrane potential collapse and massive release of cytochrome c, it is fully demonstrated that these complexes induce apoptosis through ROS-mediated mitochondrial pathway. At the same time, the complex Ir-3 is outstanding in the inhibition of tumor growth in vivo. Combined with the above results, it provides a favorable foundation for the future development of more effective anti-tumor drugs. Show less
📄 PDF DOI: 10.1016/j.ejmech.2019.06.003
Biometal apoptosis autophagy
King AP, Marker SC, Swanda RV +3 more · 2019 · Chemistry – A European Journal · Wiley · added 2026-05-01
Complexes of the element Re have recently been shown to possess promising anticancer activity through mechanisms of action that are distinct from the conventional metal-based drug cisplatin. In this s Show more
Complexes of the element Re have recently been shown to possess promising anticancer activity through mechanisms of action that are distinct from the conventional metal-based drug cisplatin. In this study, we report our investigations on the anticancer activity of the complex [Re(CO)3 (dmphen)(p-tol-ICN)]+ (TRIP) in which dmphen=2,9-dimethyl-1,10-phenanthroline and p-tol-ICN=para-tolyl isonitrile. TRIP was synthesized by literature methods and exhaustively characterized. This compound exhibited potent in vitro anticancer activity in a wide variety of cell lines. Flow cytometry and immunostaining experiments indicated that TRIP induces intrinsic apoptosis. Comprehensive biological mechanistic studies demonstrated that this compound triggers the accumulation of misfolded proteins, which causes endoplasmic reticulum (ER) stress, the unfolded protein response, and apoptotic cell death. Furthermore, TRIP induced hyperphosphorylation of eIF2α, translation inhibition, mitochondrial fission, and expression of proapoptotic ATF4 and CHOP. These results establish TRIP as a promising anticancer agent based on its potent cytotoxic activity and ability to induce ER stress. Show less
📄 PDF DOI: 10.1002/chem.201902223
Biometal apoptosis autophagy
Irace C, Misso G, Capuozzo A +7 more · 2017 · Scientific Reports · Nature · added 2026-05-01
Looking for new metal-based anticancer treatments, in recent years many ruthenium complexes have been proposed as effective and safe potential drugs. In this context we have recently developed a novel Show more
Looking for new metal-based anticancer treatments, in recent years many ruthenium complexes have been proposed as effective and safe potential drugs. In this context we have recently developed a novel approach for the in vivo delivery of Ru(III) complexes, preparing stable ruthenium-based nucleolipidic nanoaggregates endowed with significant antiproliferative activity. Herein we describe the cellular response to our ruthenium-containing formulations in selected models of human breast cancer. By in vitro bioscreens in the context of preclinical studies, we have focused on their ability to inhibit breast cancer cell proliferation by the activation of the intrinsic apoptotic pathway, possibly via mitochondrial perturbations involving Bcl-2 family members and predisposing to programmed cell death. In addition, the most efficient ruthenium-containing cationic nanoaggregates we have hitherto developed are able to elicit both extrinsic and intrinsic apoptosis, as well as autophagy. To limit chemoresistance and counteract uncontrolled proliferation, multiple cell death pathways activation by metal-based chemotherapeutics is a challenging, yet very promising strategy for targeted therapy development in aggressive cancer diseases, such as triple-negative breast cancer with limited treatment options. These outcomes provide valuable, original knowledge on ruthenium-based candidate drugs and new insights for future optimized cancer treatment protocols. Show less
📄 PDF DOI: 10.1038/srep45236
Biometal apoptosis autophagy
Montel AM, Dos Santos RG, da Costa PR +3 more · 2017 · BioMetals · Springer · added 2026-05-01
Novel metal complexes have received great attention in the last decades due to their potential anticancer activity. Notably, ruthenium-based complexes have emerged as good alternative to the currently Show more
Novel metal complexes have received great attention in the last decades due to their potential anticancer activity. Notably, ruthenium-based complexes have emerged as good alternative to the currently used platinum-based drugs for cancer therapy, providing less toxicity and side effects to patients. Glioblastoma is an aggressive and invasive type of brain tumor and despite of advances is the field of neurooncology there is no effective treatment until now. Therefore, we sought to investigate the potential antiproliferative activity of phosphine-ruthenium-based complexes on human glioblastoma cell lines. Due to its octahedral structure as opposed to the square-planar geometry of platinum(II) compounds, ruthenium(II) complexes exhibit different structure-function relationship probably acting through a different mechanism from that of cisplatin beyond their ability to bind DNA. To better improve the pharmacological activity of metal complexes we hypothesized that neutron activation of ruthenium in the complexes would allow to decrease the effective concentration of the compound needed to kill tumor cells. Herein we report on the effect of unmodified and neutron activated phosphine ruthenium II complexes on glioblastoma cell lines carrying wild-type and mutated p53 tumor suppressor gene. Induction of apoptosis/authophagy as well as generation of reactive oxygen species were determined. The phosphine ruthenium II complexes tested were highly active against glioblastoma cell lines inducing cell death both through apoptosis and autophagy in a p53 independent fashion. Neutron activation of ruthenium compounds rendered them more active than their original counterparts suggesting a new strategy to improve the antitumor activity of these compounds. Show less
📄 PDF DOI: 10.1007/s10534-017-0006-1
Biometal apoptosis autophagy
Bing Tang, Fang Shen, Dan Wan +4 more · 2017 · RSC Advances · Royal Society of Chemistry · added 2026-05-01
📄 PDF DOI: 10.1039/c7ra05103d
Biometal apoptosis autophagy
Wan D, Lai SH, Zeng CC +3 more · 2017 · Journal of Inorganic Biochemistry · Elsevier · added 2026-05-01
Two new ligand PTTP (2-phenoxy-1,4,8,9-tetraazatriphenylene) and FTTP (2-(3-fluoronaphthalen-2-yloxy)-1,4,8,9-tetraazatriphenylene) and their six ruthenium(II) polypyridyl complexes [Ru(N-N)2Show more
Two new ligand PTTP (2-phenoxy-1,4,8,9-tetraazatriphenylene) and FTTP (2-(3-fluoronaphthalen-2-yloxy)-1,4,8,9-tetraazatriphenylene) and their six ruthenium(II) polypyridyl complexes [Ru(N-N)2(PTTP)](ClO4)2 and [Ru(N-N)2(FTTP)](ClO4)2 (N-N=dmb: 4,4'-dimethyl-2,2'-bipiridine; dmp: 2,9-dimethyl-1,10-phenanthroline; ttbpy: 4,4'-ditertiarybutyl-2,2'-bipyridine) were synthesized and characterized. The cytotoxic activity of the complexes against cancer cells HeLa, BEL-7402, A549, HepG-2, HOS and normal cell LO2 was evaluated by MTT method. The IC50 values range from 1.5±0.1 to 55.9±7.5μM. Complex 3 shows the highest cytotoxic activity toward BEL-7402 cells (IC50=1.5±0.1μM). Complex 5 displays most effective inhibition of the cell growth in A549 and HOS cells with low IC50 values of 2.5±0.6 and 2.6±0.1μM, respectively. The apoptosis, reactive oxygen species, mitochondrial membrane potential, DNA damage, autophagy and anti-metastasis assay were investigated under a fluorescent microscope. The cell cycle arrest was assayed by flow cytometry, and the expression of caspases and Bcl-2 family proteins was studied by western blot. The results obtained show that the complexes induce apoptosis in BEL-7402 cells through a ROS-mediated mitochondrial dysfunction pathway. Show less
📄 PDF DOI: 10.1016/j.jinorgbio.2017.04.026
Biometal apoptosis autophagy
Chen L, Li G, Peng F +9 more · 2016 · Oncotarget · Impact Journals · added 2026-05-01
In the present study, it was found that the ruthenium (II) imidazole complex [Ru(Im)4(dppz)]2+ (Ru1) could induce significant growth inhibition and apoptosis in A549 and NCI-H460 cells. Apart from the Show more
In the present study, it was found that the ruthenium (II) imidazole complex [Ru(Im)4(dppz)]2+ (Ru1) could induce significant growth inhibition and apoptosis in A549 and NCI-H460 cells. Apart from the induction of apoptosis, it was reported for the first time that Ru1 induced an autophagic response in A549 and NCI-H460 cells as evidenced by the formation of autophagosomes, acidic vesicular organelles (AVOs), and the up-regulation of LC3-II. Furthermore, scavenging of reactive oxygen species (ROS) by antioxidant NAC or Tiron inhibited the release of cytochrome c, caspase-3 activity, and eventually rescued cancer cells from Ru1-mediated apoptosis, suggesting that Ru1 inducing apoptosis was partially caspase 3-dependent by triggering ROS-mediated mitochondrial dysfunction in A549 and NCI-H460 cells. Further study indicated that the extracellular signal-regulated kinase (ERK) signaling pathway was involved in Ru1-induced autophagy in A549 and NCI-H460 cells. Moreover, blocking autophagy using pharmacological inhibitors 3-methyladenine (3-MA) and chloroquine (CQ) enhanced Ru1-induced apoptosis, indicating the cytoprotective role of autophagy in Ru1-treated A549 and NCI-H460 cells. Finally, the in vivo mice bearing A549 xenografts, Ru1 dosed at 10 or 20 mg/kg significantly inhibited tumor growth. Show less
📄 PDF DOI: 10.18632/oncotarget.13032
Biometal apoptosis autophagy
Gill MR, Harun SN, Halder S +4 more · 2016 · Scientific Reports · Nature · added 2026-05-01
Ruthenium(II) polypyridyl complexes can intercalate DNA with high affinity and prevent cell proliferation; however, the direct impact of ruthenium-based intercalation on cellular DNA replication remai Show more
Ruthenium(II) polypyridyl complexes can intercalate DNA with high affinity and prevent cell proliferation; however, the direct impact of ruthenium-based intercalation on cellular DNA replication remains unknown. Here we show the multi-intercalator [Ru(dppz)2(PIP)](2+) (dppz = dipyridophenazine, PIP = 2-(phenyl)imidazo[4,5-f][1,10]phenanthroline) immediately stalls replication fork progression in HeLa human cervical cancer cells. In response to this replication blockade, the DNA damage response (DDR) cell signalling network is activated, with checkpoint kinase 1 (Chk1) activation indicating prolonged replication-associated DNA damage, and cell proliferation is inhibited by G1-S cell-cycle arrest. Co-incubation with a Chk1 inhibitor achieves synergistic apoptosis in cancer cells, with a significant increase in phospho(Ser139) histone H2AX (γ-H2AX) levels and foci indicating increased conversion of stalled replication forks to double-strand breaks (DSBs). Normal human epithelial cells remain unaffected by this concurrent treatment. Furthermore, pre-treatment of HeLa cells with [Ru(dppz)2(PIP)](2+) before external beam ionising radiation results in a supra-additive decrease in cell survival accompanied by increased γ-H2AX expression, indicating the compound functions as a radiosensitizer. Together, these results indicate ruthenium-based intercalation can block replication fork progression and demonstrate how these DNA-binding agents may be combined with DDR inhibitors or ionising radiation to achieve more efficient cancer cell killing. Show less
📄 PDF DOI: 10.1038/srep31973
Biometal autophagy
Castonguay A, Doucet C, Juhas M +1 more · 2012 · Journal of Medicinal Chemistry · ACS Publications · added 2026-05-01
Novel ruthenium-letrozole complexes have been prepared, and cell viability of two human cancer cell types (breast and glioblastoma) was determined. Some ruthenium compounds are known for their cytotox Show more
Novel ruthenium-letrozole complexes have been prepared, and cell viability of two human cancer cell types (breast and glioblastoma) was determined. Some ruthenium compounds are known for their cytotoxicity to cancer cells, whereas letrozole is an aromatase inhibitor administered after surgery to post-menopausal women with hormonally responsive breast cancer. A significant in vitro activity was established for complex 5·Let against breast cancer MCF-7 cells and significantly lower activity against glioblastoma U251N cells. The activity of 5·Let was even higher than that of 4, a compound analogous to the well-known drug RAPTA-C. Results from the combination of 5·Let (or 4) with 3-methyladenine (3-MA) or with curcumin, respectively, revealed that the resultant cancer cell death likely involves 5·Let-induced autophagy. Show less
📄 PDF DOI: 10.1021/jm301103y
Biometal autophagy