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⚗️ Metals 2492
▸ 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 1118
▸ Methods — Other experimental (213)
synthesis (246)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 646
▸ 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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102 articles with selected tags
Mubashar Ilyas, Nagesh Manurkar, Muhammad Abbas +5 more · 2026 · Inorganic Chemistry · ACS Publications · added 2026-04-20
The most significant factor in the design of high-performance nonlinear optical (NLO) materials is electronic symmetry, which directly influences hyperpolarizability and second harmonic generation (SH Show more
The most significant factor in the design of high-performance nonlinear optical (NLO) materials is electronic symmetry, which directly influences hyperpolarizability and second harmonic generation (SHG) response. This work presents two isostructural one-dimensional coordination complexes, {[Co2(CMP)2(BIPY)2(H2O)6]·11H2O}n (I) and {[Ni2(CMP)2(BIPY)2(H2O)6]·11H2O}n (II), (CMP = Cytidine Monophosphate, BIPY = 4,4'-bipyridine), crystallized in the noncentrosymmetric (NCS) P21 space group. The cobalt-based complex (I) establishes an NCS environment due to its pronounced octahedral distortion and lower electronic symmetry, coupled with intrachain hydrogen bonding and π-π stacking, resulting in enhanced hyperpolarizability and a robust second-harmonic generation response. Conversely, the nickel-based complex (II) demonstrates comparatively weaker NLO characteristics attributable to its higher symmetry. Experimental and theoretical findings have established that the superior NLO performance of complex (I) is intrinsically linked to its low symmetry, narrow band gap, and significant intermolecular interactions. This research demonstrates that disrupting electronic symmetry can significantly amplify the nonlinear optical response through supramolecular architecture in coordination polymers. Show less
no PDF DOI: 10.1021/acs.inorgchem.5c04646 📎 SI
Co Ni coordination-chemistry
Mariia Beliaeva, Andrey Belyaev, Henna Korhonen +4 more · 2026 · Inorganic Chemistry Frontiers · Royal Society of Chemistry · added 2026-04-20
Hybrid phosphines with anionic hard donor functions can be used to create an adaptable ligand environment for soft late transition metals. Herein, we show that the change of coordination of a Show more
Hybrid phosphines with anionic hard donor functions can be used to create an adaptable ligand environment for soft late transition metals. Herein, we show that the change of coordination of a diphosphine–phosphinic acid (P3OOH) in response to acid–base interactions or hydrogen bonding results in structural transformations of a disilver complex [Ag2(P3OO)2] (1) to give solvated and protonated derivatives [Ag2(P3OOH)2]2+ (2) and [Ag3(P3OO)3H]+ (3), accompanied by the alteration of the quantum yield of the solid-state photoluminescence from 0.06 up to 0.69. The related diphosphine–phosphide oxide complexes [M2(P3O)2] (M = Ag, Au) are oxidized to phosphinate compounds 2 and non-luminescent [Au2(P3OO)2H]+ (5) in the presence of triflic acid. Alternatively, [Au2(P3O)2] readily accommodates an additional gold(I) ion to yield a trinuclear cluster [Au3(P3O)2]+ (6), which is brightly sky-blue phosphorescent in the crystalline state (Φem = 0.76). The phosphide oxide group −PO in 6 is stable towards oxidation under acidic conditions in solution but undergoes protonation that results in two orders of magnitude (>170-fold) increase of the emission intensity. Complex 6 acts as a guest in the crystalline matrix of 5 due to their structural similarity and affords solid solutions with bright luminescence at a doping content of 1–2%. Show less
📄 PDF DOI: 10.1039/D5QI01622C
Ag Au coordination-chemistry imaging phosphine
Céline Bourgois, Ludovic Troian-Gautier, Winald R. Kitzmann · 2026 · Inorganic Chemistry · ACS Publications · added 2026-04-20
[Ru(bpy) 3 ] 2+ has long served as the archetypal coordination complex for probing inorganic photophysics and photochemistry. Its intense visible MLCT absorption, quantitative intersystem crossing, a Show more
[Ru(bpy) 3 ] 2+ has long served as the archetypal coordination complex for probing inorganic photophysics and photochemistry. Its intense visible MLCT absorption, quantitative intersystem crossing, and microsecond 3 MLCT lifetime established it as a benchmark photosensitizer across energy conversion, sensing, and catalysis. This review complements a recent historical perspective on [Ru(bpy) 3 ] 2+ by providing a contemporary view of its use as a versatile platform for advanced photochemical design. We first discuss updated views of its excited-state landscape, including refined descriptions of metal-centered states, minimum-energy crossing points, and photodissociation pathways, as well as the profound influence of counterions and microenvironments on excited-state energetics, stability, and reactivity. We then survey emerging applications, multiphoton solvated electron generation, mechanochemical ball-mill photoredox catalysis, and spin-forbidden red-light excitation. Next, we examine polynuclear complexes and dyads derived from the [Ru(bpy) 3 ] 2+ scaffold, emphasizing delocalized and antidissipative 3 MLCT states, long-lived charge separation, and integration into biohybrid or supramolecular architectures. Finally, we outline "real-life" applications in industrial photoredox chemistry, electrochemiluminescence immunoassays, oxygen sensing, and photodynamic therapy, and we position [Ru(bpy) 3 ] 2+ alongside emerging photosensitizers based on earth-abundant metals. Rather than being superseded, [Ru(bpy) 3 ] 2+ now functions as both a robust technological workhorse and an indispensable reference for next-generation photocatalyst design. Show less
no PDF DOI: 10.1021/acs.inorgchem.6c00560 📎 SI
Ru catalysis coordination-chemistry photoactivated review
Chengnan Wu, Nikolai F. Romashev, Veronika I. Komlyagina +9 more · 2026 · Inorganic Chemistry Frontiers · Royal Society of Chemistry · added 2026-04-20
While various metal complexes demonstrate immunogenic cell death (ICD)-inducing properties, there is a lack of studies comparing ICD properties in structurally similar complexes with different Show more
While various metal complexes demonstrate immunogenic cell death (ICD)-inducing properties, there is a lack of studies comparing ICD properties in structurally similar complexes with different metal centers. In this study, we synthesized four structurally similar Rh(I) and Ir(I) complexes with redox-active 1,2-bis(arylimino)acenaphthene (Ar-bian) ligands and assessed their anticancer and ICD-inducing properties. Analysis of damage-associated molecular patterns (DAMPs), ROS localization and dying cell populations highlighted the distinct roles of the metal center and the ligands. Specifically, only Rh(I) complexes induced the release of the three essential DAMPs and high levels of late apoptotic cells, while the Ir(I) complexes failed to trigger crucial “eat-me” signals. This work offers valuable insights into structure–activity relationships in metal complexes in the context of ICD. Show less
📄 PDF DOI: 10.1039/D5QI00868A
Ir ROS Rh anticancer coordination-chemistry immunogenic synthesis
Massimiliano Morganti, Jan C. Kruse, Sandeep K. Gupta +3 more · 2026 · Inorganic Chemistry · ACS Publications · added 2026-04-20
Iron complexes of tetradentate macrocyclic ligands containing N-heterocyclic carbene (NHC) donors have been referred to as organometallic heme analogues, but they usually lack the redox noninno Show more
Iron complexes of tetradentate macrocyclic ligands containing N-heterocyclic carbene (NHC) donors have been referred to as organometallic heme analogues, but they usually lack the redox noninnocence under oxidizing conditions that is characteristic of porphyrins. Here we report a novel NHC/N-donor hybrid macrocyclic ligand containing two trans NHC moieties, a pyridine and a redox active carbazolide fragment. Its FeII, FeIII and formal FeIV complexes have been isolated and comprehensively characterized, where UV/vis and 57Fe Mössbauer spectroscopies, SQUID magnetometry and density functional theory (DFT) calculations reveal that the latter are best described as FeIII systems antiferromagnetically coupled to a carbazolide-based organic π-radical. Two different redox series are obtained depending on the axial ligands: nitriles such as MeCN give low-spin (LS) configurations of the metal ion, while in case of weakly coordinating solvents and triflate anions the iron adopts an intermediate-spin (IS) configuration; MeCN binding constants have been determined. As in other heme analogues with NHC-based macrocycles, the strong equatorial σ-donor character raises the energy of the Fe(dx2-y2) orbital, making high-spin (HS) iron species inaccessible. The combined features of equatorial ligand redox noninnocence, restriction to LS/IS surfaces and tunability via the axial coligands makes this a promising platform for bioinspired reactivity such as the generation of reactive Fe/Ox intermediates. Show less
no PDF DOI: 10.1021/acs.inorgchem.5c04599
NHC coordination-chemistry
Jun Shu, Xianbo Wu, Zixin Tang +5 more · 2026 · Angewandte Chemie International Edition · Wiley · added 2026-04-20
Abstract Most clinically used chemotherapeutic agents act by inducing apoptosis. However, their clinical effectiveness is often limited by poor therapeutic efficacy and the rapid development of drug r Show more
Abstract Most clinically used chemotherapeutic agents act by inducing apoptosis. However, their clinical effectiveness is often limited by poor therapeutic efficacy and the rapid development of drug resistance. In contrast, oncosis, as an inflammatory form of cell death independent of adenosine triphosphate (ATP) and apoptotic pathways, exhibits unique advantages in overcoming tumor drug resistance and regulating anti‐tumor immune responses. Herein, we present the first iridium(III)‐based immunogenic oncosis inducers designed to concurrently induce oncosis and activate the cGAS–STING pathway, thereby bridging chemotherapy with immunotherapy. Through a bioisosteric design strategy, we identified benzoselenazole and benzothiazole derivatives as key pharmacophores for triggering oncosis. These iridium(III)‐based oncosis‐inducers rapidly disrupt mitochondrial architecture, induce oxidative stress, and promote Ca(II) release, which subsequently activate calpain and porimin to initiate oncosis in multidrug‐resistant cancer cells. Transcriptomic profiling further revealed their ability to regulate actin cytoskeleton organization, modulate ABC transporter activity, and affect glycolysis/gluconeogenesis. Notably, the metal complexes induce mitochondrial swelling and mt‐DNA damage, leading to robust activation of the cGAS–STING innate immune pathway and eliciting a strong anticancer immune response. Based on these multimodal mechanisms, the Ir(III)‐based immunogenic oncosis inducers were able to effectively kill drug‐resistant cancer cells and enhance the anticancer immune response in tumor mouse models. Show less
no PDF DOI: 10.1002/anie.202521242
DNA-binding Ir ROS anticancer coordination-chemistry immunogenic mitochondria
2026 · Coordination Chemistry Reviews · Elsevier · added 2026-04-20
no PDF DOI: 10.1016/j.ccr.2025.217356
coordination-chemistry imaging
Shivam Sirohi, Avijit Das, Rajaneesh Kumar Verma +2 more · 2026 · Inorganic Chemistry · ACS Publications · added 2026-04-20
A molecular CoIII complex (1), supported by a 14-membered macrocyclic ligand, was developed. The oxygen reduction reaction (ORR) catalyzed by 1 was investigated under electroc Show more
A molecular CoIII complex (1), supported by a 14-membered macrocyclic ligand, was developed. The oxygen reduction reaction (ORR) catalyzed by 1 was investigated under electrochemical and spectrochemical conditions in acetonitrile, using trifluoroacetic acid (TFAH) as the proton source, and revealed selective catalytic 4e-/4H+ reduction in both cases. Kinetic analyses revealed a first-order dependence on the concentrations of both catalyst and O2, but no dependence on TFAH or decamethylferrocene (under chemical conditions). The catalytic rate constant was determined to be 3.6 × 103 M-1 s-1 under electrochemical and 90 M-1 s-1 under spectrochemical conditions. A reported Co(III) complex (2), featuring a bis-pyridine-dioxime ligand architecture, also catalyzed the 4e-/4H+ reduction of O2 but displayed first-order dependence on catalyst, TFAH, and O2. These results suggest that variations in the coordination environment around the Co center lead to distinct ORR mechanisms, despite identical product selectivity. Complex 1 exhibited an effective overpotential of 0.78 V, which is 240 mV lower than that of 2eff = 1.02 V), underscoring the role of ligand architecture in tuning the catalytic overpotential. Overall, this study underscores the pivotal role of ligand design in shaping ORR kinetics, mechanism, and efficiency, offering valuable insights for the development of ORR catalysts. Show less
no PDF DOI: 10.1021/acs.inorgchem.5c04519 📎 SI
Co coordination-chemistry
Galymzhan Moldagulov, Kisung Lee, Sanzhar Nurgaliyev +3 more · 2026 · Angewandte Chemie International Edition · Wiley · added 2026-04-20
ABSTRACT Understanding how metals coordinate to organic ligands is a precondition for the rational design of metal complexes and catalysts. Whereas certain types of ligands are capable of just one eas Show more
ABSTRACT Understanding how metals coordinate to organic ligands is a precondition for the rational design of metal complexes and catalysts. Whereas certain types of ligands are capable of just one easy‐to‐predict coordination modality, others may present tens and sometimes even hundreds of coordination options (mono‐, bi‐, or polydentate), and predicting the correct one may be a challenge even to seasoned chemists. The current paper describes a “hybrid” computational approach in which a Machine Learning, ML, algorithm learns to predict complex coordination patterns using knowledge‐based “rules” derived from the Cambridge Structural Database, CSD. This model is applicable to a broad scope of ligands (including hemilabile and haptic ones as well as those with denticity > 6) and different metals at different oxidation states. The algorithm's code is disclosed and can be readily deployed in RDKit via our RDMetallics python‐wrapper. It is also deployed as a publicly accessible web portal for demonstration and use. Show less
no PDF DOI: 10.1002/anie.202524655 📎 SI
Bi ML catalysis coordination-chemistry
Edward C. Lant, Archana C. Jadhav, Annabel Sumeray +13 more · 2026 · Inorganic Chemistry · ACS Publications · added 2026-04-20
An integrated multimodal imaging workflow of cryogenic super-resolution fluorescence microscopy and soft X-ray tomography, Orbitrap secondary ion mass spectrometry, and inductively coupled plasma-mass Show more
An integrated multimodal imaging workflow of cryogenic super-resolution fluorescence microscopy and soft X-ray tomography, Orbitrap secondary ion mass spectrometry, and inductively coupled plasma-mass spectrometry has revealed the unexpected targeting of a half-sandwich cyclopentadienyl Rh(III) phenylazopyridine anticancer complex to cellular lipid membranes and lipid droplets. The complex accumulates in plasma membranes with a surprisingly intense switch-on luminescence in living cancer cells, drives remodeling of lipid droplet architecture, and penetrates deeply into lipid-rich tissue environments. DFT modeling shows strong supramolecular interactions between the complex and glycerophosphorylcholine lipids. Show less
no PDF DOI: 10.1021/acs.inorgchem.6c00104 📎 SI
anticancer coordination-chemistry
Zhi-Yuan Li, Long-Bo Yu, Qing-Hua Shen +5 more · 2026 · Chemical Science · Royal Society of Chemistry · added 2026-04-20
Zinc is a crucial element in cellular processes, and its homeostasis has intricate relationships with the initiation, progression, and therapeutic intervention of cancer. Activation of the cyc Show more
Zinc is a crucial element in cellular processes, and its homeostasis has intricate relationships with the initiation, progression, and therapeutic intervention of cancer. Activation of the cyclic GMP-AMP synthase (cGAS)-stimulator of interferon genes (STING) pathway has been proven to be an effective strategy for cancer immunotherapy. Herein, we report four phosphorescent iridium complexes (Ir1–Ir4) with zinc chelating ligands. Among them, Ir1 can bind and image mitochondrial chelatable zinc ions via phosphorescence-lifetime responses, consequently modulating the expression of zinc-regulatory proteins. Furthermore, the in situ formed heteronuclear metal complex Ir1-Zn2 shows nuclease mimetic activities, capable of hydrolyzing mitochondrial DNA (mtDNA) to release mtDNA fragments for the activation of the cGAS-STING pathway. In conclusion, we designed a mitochondria-targeting phosphorescent Ir(III) complex with dual functions in dysregulation of zinc homeostasis and generation of nuclease in situ, which provides an innovative approach to stimulate the cGAS-STING pathway. Show less
📄 PDF DOI: 10.1039/D5SC07181J
Ir Zn coordination-chemistry imaging mitochondria
Suxing Jin, Yafeng He, Chenyao Feng +4 more · 2025 · ACS Central Science · ACS Publications · added 2026-04-20
Mitochondria are associated with cellular energy metabolism, proliferation, and mode of death. Damage to mitochondrial DNA (mtDNA) greatly affects mitochondrial function by interfering with energy pro Show more
Mitochondria are associated with cellular energy metabolism, proliferation, and mode of death. Damage to mitochondrial DNA (mtDNA) greatly affects mitochondrial function by interfering with energy production and the signaling pathway. Monofunctional trinuclear platinum complex MTPC demonstrates different actions on the mtDNA of cancerous and normal cells. It severely impairs the integrity and function of mitochondria in the human lung cancer A549 cells, such as dissipating mitochondrial membrane potential, decreasing the copy number of mtDNA, interfering in nucleoid proteins and polymerase gamma gene, reducing adenosine triphosphate (ATP), and inducing mitophagy, whereas it barely affects the mtDNA of the human kidney 2 (HK-2) cells. Moreover, MTPC promotes the release of mtDNA into the cytosol and stimulates the cyclic GMP-AMP synthase-stimulator of interferon genes (cGAS-STING) pathway, thus showing the potential to trigger antitumor immunity. MTPC displays significant cytotoxicity against A549 cells, while it exhibits weak toxicity toward HK-2 cells, therefore displaying great advantage to overcome the lingering nephrotoxicity of platinum anticancer drugs. Discrepant effects of a metal complex on mitochondria of different cells mean that targeting mitochondria has special significance in cancer therapy. Show less
no PDF DOI: 10.1021/acscentsci.4c01941
A549 Pt anticancer coordination-chemistry mitochondria
Nandan Sheernaly, Axel Steinbrueck, Nicolas Krahn +8 more · 2025 · Chemistry – A European Journal · Wiley · added 2026-04-20
Abstract Transition metal complexes have been widely utilized as cellular imaging tools. To impart organelle specificity, ligand architecture is usually modified to modulate properties like overall ch Show more
Abstract Transition metal complexes have been widely utilized as cellular imaging tools. To impart organelle specificity, ligand architecture is usually modified to modulate properties like overall charge and lipophilicity. In many such designs, the metal identity and its intrinsic properties are often ignored. To address this gap, in this study, we explored the effects of changing the metal center on the localization patterns of isostructural complexes. To this end, we employed the thiosemicarbazone Dp44mT to synthesize coumarin‐conjugated complexes of Au(III), Pt(II), and Pd(II). Although the metal centers in these compounds share a formal d 8 configuration, they differ in properties such as ionic radius, charge density, and ligand exchange rates, which can affect their subcellular localization patterns. In addition, we synthesized a second set of analogous complexes using BODIPY as the conjugating fluorophore to assess the influence of using a different dye on the cellular distribution. Confocal imaging revealed that the complexes exhibited distinct intracellular distributions. For instance, while the coumarin‐conjugated Pt(II) complex localized specifically in lysosomes, the corresponding lipophilic Pd(II) complex lacked this specificity and instead followed a diffusely cytosolic distribution. Similarly, the more lipophilic BODIPY conjugated complexes were non‐specific in their cellular distribution as well. Overall, the findings of this study highlight the interplay of metal identity and lipophilicity in determining the localization patterns of Dp44mT‐based metal complexes, offering fresh insights into the design of new metal‐based imaging tools. Show less
no PDF DOI: 10.1002/chem.202502613
Au Pd Pt coordination-chemistry imaging synthesis
Kyunghoon Lee, Shinyoung Park, Minseong Park +1 more · 2025 · Journal of Chemical Information and Modeling · ACS Publications · added 2026-04-20
Conformer generation is crucial for computational chemistry tasks such as structure-based modeling and property prediction. Although reliable methods exist for organic molecules, coordination complexe Show more
Conformer generation is crucial for computational chemistry tasks such as structure-based modeling and property prediction. Although reliable methods exist for organic molecules, coordination complexes remain challenging due to their diverse coordination geometries, ligand types, and stereochemistry. Current tools often lack the flexibility and reliability required for these systems. Here, we introduce MetalloGen, a novel algorithm designed for the automated generation of 3D conformers of mononuclear coordination complexes. MetalloGen accepts either SMILES strings or molecular graph representations as input and enables the generation of reliable conformers, including those with multiple polyhapto ligands, which are typically inaccessible to conventional conformer generators. To rigorously assess MetalloGen's performance, we benchmarked it on three distinct data sets: a curated collection of experimentally determined structures from the Cambridge Structural Database, the MOR41 benchmark set encompassing a wide range of organometallic reactions and complex ligand environments, and three catalytic reactions. Across all test sets, MetalloGen consistently reproduced appropriate geometries with high fidelity and demonstrated robust stereochemical control, even for challenging cases involving multiple polyhapto ligands. The versatility and reliability of MetalloGen make it a valuable tool for more accurate and efficient computational investigations in inorganic and organometallic chemistry. Show less
no PDF DOI: 10.1021/acs.jcim.5c02074
coordination-chemistry
2025 · Coordination Chemistry Reviews · Elsevier · added 2026-04-20
no PDF DOI: 10.1016/j.ccr.2024.216233
Au anticancer coordination-chemistry review
Mannaa, Abdullah H., Gomaa, Esam A., Zaky, Rania R. +2 more · 2025 · Nature Publishing Group · Nature · added 2026-04-20
Copper(II), manganese(II), and mercury(II) complexes of 4-amino-5-(2-(1-pyridine-2-yl)ethylidene)hydrazinyl)-4H-1,2,4-triazole-3-thiol (H2TAP) were synthesized and characterized using CHN analysis, FT Show more
Copper(II), manganese(II), and mercury(II) complexes of 4-amino-5-(2-(1-pyridine-2-yl)ethylidene)hydrazinyl)-4H-1,2,4-triazole-3-thiol (H2TAP) were synthesized and characterized using CHN analysis, FT-IR, 1H-NMR, 13C-NMR, UV–Vis, ESR, MS, PXRD, magnetic moment measurements, molar conductance, and TG/DTA. DFT calculations indicate octahedral geometries and the neutral bidentate or tridentate chelating behavior of the ligand. Cyclic voltammetry revealed the complexes’ redox properties, and Job’s method elucidated stoichiometric compositions in solution. Biochemical assays demonstrated antimicrobial activity against Escherichia coli, Staphylococcus aureus, and Candida albicans. The MnII complex exhibited potent antitumor activity against HepG-2 cells. Antioxidant and DNA binding studies showed promising results, with docking investigations indicating strong interactions between the ligand/complexes and target proteins (PDB: 1YWN) and DNA (PDB: 8EC1), suggesting therapeutic potential. Show less
📄 PDF DOI: 10.1038/s41598-025-15782-3
Cu DFT DNA-binding Ir NMR antibacterial anticancer coordination-chemistry
2025 · Coordination Chemistry Reviews · Elsevier · added 2026-04-20
no PDF DOI: 10.1016/j.ccr.2024.216252
Ru coordination-chemistry
Huayun Shi, Rafael C. Marchi, Peter J. Sadler · 2025 · Angewandte Chemie International Edition · Wiley · added 2026-04-20
AbstractPhotoactivatable metal complexes offer the prospect of novel drugs with low side effects and new mechanisms of action to combat resistance to current therapy. We highlight recent progress in t Show more
AbstractPhotoactivatable metal complexes offer the prospect of novel drugs with low side effects and new mechanisms of action to combat resistance to current therapy. We highlight recent progress in the design of platinum, ruthenium, iridium, gold and other transition metal complexes, especially for applications as anticancer and anti‐infective agents. In particular, understanding excited state chemistry related to identification of the bioactive species (excited state metallomics/pharmacophores) is important. Photoactivatable metallodrugs are classified here as photocatalysts, photorelease agents and ligand‐activated agents. Their activation wavelengths, cellular mechanisms of action, experimental and theoretical metallomics of excited states and photoproducts are discussed to explore new strategies for the design and investigation of photoactivatable metallodrugs. These photoactivatable metallodrugs have potential in clinical applications of Photodynamic Therapy (PDT), Photoactivated Chemotherapy (PACT) and Photothermal Therapy (PTT). Show less
no PDF DOI: 10.1002/anie.202423335
Au Ir Pt Ru anticancer coordination-chemistry photoactivated
Yu. A. Golubeva, K. S. Smirnova, L. S. Klyushova +2 more · 2025 · New Journal of Chemistry · Royal Society of Chemistry · added 2026-04-20
Three copper(II) complexes – [Cu2(bipy)2L4] (1), [Cu2(phen)2L4] (2) and [Cu2(dmphen)2L4]·2H2O (3) – were synthesized based on 5-methyltetrazole (HL) and 2,2′-bipyridine/1,10-phenanthroline der Show more
Three copper(II) complexes – [Cu2(bipy)2L4] (1), [Cu2(phen)2L4] (2) and [Cu2(dmphen)2L4]·2H2O (3) – were synthesized based on 5-methyltetrazole (HL) and 2,2′-bipyridine/1,10-phenanthroline derivatives. A crystallographic study revealed that complexes 1–3 have a binuclear structure with coordination polyhedron close to the square pyramid. Stability of the complexes in aqueous solution was studied by UV-Vis spectroscopy and conductometry. In vitro cytotoxicity study was carried out in 2D and 3D cell culture models and showed that complexes 2 and 3 possess cytotoxic activity against tumor cells (A549, Hep2, HepG2, MCF7) with LC50 values exceeding those of the medical drug cisplatin. At the same time, being less active, compound 1 has a selectivity index of 3.1 to hepatocellular carcinoma (HepG2 cell line) compared to non-tumor MRC5 cells. The Hoechst/Propidium iodide staining assay and ROS generation assay on Hep2 cells indicated that the cytotoxic effects of the complexes involved apoptosis induction without ROS accumulation. Show less
📄 PDF DOI: 10.1039/D5NJ00875A
A549 Cu HepG2 ROS X-ray anticancer coordination-chemistry pyridine
Maryam Niazi, Iván Maisuls, Cristian A. Strassert +2 more · 2025 · Dalton Transactions · Royal Society of Chemistry · added 2026-04-20
In the frame of our research aiming to develop efficient triplet-emitting materials, we are exploring the role of the second coordination sphere in enhancing the rigidity of structures and its control Show more
In the frame of our research aiming to develop efficient triplet-emitting materials, we are exploring the role of the second coordination sphere in enhancing the rigidity of structures and its controlling aspect over the extents of excited state distortions. We thus synthesised three N^C^N cyclometalated complexes [M(LBn)Cl] (M = Pt, Pd, and Ni), where the two ortho-positions of the pyridyl moieties in 1,3-di(2-pyridyl)-benzene are benzyl substituted (Bn) forming a tight binding pocket for the metal and the Cl− ancillary ligand. The molecular structures from single-crystal X-ray diffraction show a markedly distorted square planar M(II) coordination with τ4 values of around 0.4. UV-vis absorption spectra show long-wavelength bands in the range 350 to 5400 nm with the energies increasing along the series Ni < Pt < Pd. The Pt(II) complex emits in solution at 298 K (λmax = 544 nm) and displays aggregated emission within poly(methyl methacrylate) (PMMA) films at various concentrations at 298 K. The Pd(II) derivative exhibits a broad emission band at 77 K in a frozen glassy 2-MeTHF matrix, peaking at 530 nm. Very different from the Pt(II) and Pd(II) spectra, the Ni(II) sample showed a broad emission with λmax = 699 nm at 77 K, with a quantum yield of 20% and ms lifetime. TD-DFT calculated decomposition of the assumed emissive T1 state showed similar 3MLCT character of about 30% for all three complexes, but marked differences in LC character of about 38% for Pd and Pt and only 5% for Ni. In turn, for Ni the by far the highest MC character (42%) was calculated which strongly speaks against triplet photoluminescence from the Ni(II) complex. Show less
📄 PDF DOI: 10.1039/D5DT01385B
DFT Ni Pd Pt X-ray coordination-chemistry cyclometalating
2025 · Coordination Chemistry Reviews · Elsevier · added 2026-04-20
no PDF DOI: 10.1016/j.ccr.2024.216233
Au anticancer coordination-chemistry review
Sreejani Ghosh, Rinku Chakrabarty, Priyankar Paira · 2025 · RSC Medicinal Chemistry · Royal Society of Chemistry · added 2026-04-20
A fundamental biological mechanism, programmed cell death (PCD), is essential for tissue homeostasis, immunological control, and development. Its dysregulation is a characteristic of many dise Show more
A fundamental biological mechanism, programmed cell death (PCD), is essential for tissue homeostasis, immunological control, and development. Its dysregulation is a characteristic of many diseases in multicellular organisms, including cancer, where unchecked proliferation is made possible by evading cell death. Therefore, one of the main tenets of contemporary anticancer therapies is the restoration or induction of PCD in cancer cells. One potential, least invasive method among these is photodynamic treatment (PDT). PDT uses light-activatable photosensitisers, which cause cancer cells to explode with reactive oxygen species (ROS) when exposed to light. These ROS harm important biomolecules, throw off the cellular redox equilibrium, and cause cells to die. PDT-induced cell death was previously believed to be mostly caused by autophagy, necrosis, or apoptosis. Recent research, however, has shown that it can trigger a wider range of unconventional cell death pathways. ROS can cause ferroptosis by oxidising membrane lipids, fragmenting DNA, and lowering intracellular glutathione (GSH) levels. Similarly, necroptosis or pyroptosis can result from severe oxidative stress activating death receptor signalling. Sometimes, in response, cells use survival strategies like autophagy, which can also lead to cell death. This review explores these new, unconventional methods of cell death and how PDT can be used to take advantage of them. Next-generation photosensitisers based on iridium (Ir), ruthenium (Ru), and rhenium (Re) complexes are given special attention because they provide deep tissue penetration, improved photostability, and adjustable ROS production. Their incorporation into PDT has revolutionary potential for improving cancer treatment precision and conquering therapeutic resistance. Show less
no PDF DOI: 10.1039/D5MD00630A
Fe Ir ROS Re Ru anticancer coordination-chemistry photoactivated
E. A. Ermakova, Ermakova, E. A., K. S. Smirnova +9 more · 2025 · Pleiades Publishing · added 2026-04-20
Abstract Complex compounds [CuL(phen)(H2O)(NO3)]NO3 (1), [CuL(bipy)(NO3)2]·2EtOH (2), [CuL2(H2O)2 (NO3)2] (2a), [CuL(dmbipy)(NO3)2]·3EtOH (3), and [CuL2(NO3)2] (3a), where L is 3-(5-phenyl-2H-tetrazol Show more
Abstract Complex compounds [CuL(phen)(H2O)(NO3)]NO3 (1), [CuL(bipy)(NO3)2]·2EtOH (2), [CuL2(H2O)2 (NO3)2] (2a), [CuL(dmbipy)(NO3)2]·3EtOH (3), and [CuL2(NO3)2] (3a), where L is 3-(5-phenyl-2H-tetrazol-2-yl)pyridine, phen is 1,10-phenanthroline, bipy is 2,2′-bipyridine, and dmbipy is 4,4′-dimethyl-2,2′-bipyridine, are obtained and structurally characterized. It is shown that L behaves as the monodentate ligand being coordinated by the nitrogen atom of the pyridine ring. The coordination polyhedron made of copper atoms is a square pyramid in complexes 1 and 3, a distorted octahedron and a distorted square in complexes 2a and 3a respectively. Complex 1 is characterized by the elemental analysis, powder X-ray diffraction, and IR spectroscopy. Furthermore, its cytotoxic properties are studied on human larynx carcinoma (Hep2), breast adenocarcinoma (MCF7), and non-tumor human fibroblast (MRC5) cell lines. Complex 1 is shown to exhibit the pronounced cytotoxic action (LC50(Hep2) = 4.1±0.4 µM and LC50(MCF7) = 4.9±0.1 µM), however, does not exhibit selectivity against tumor cell lines (LC50(MRC5) = = 3.06 ±0.02 µM). Show less
📄 PDF DOI: 10.1134/S0022476625040146
Cu Ir X-ray anticancer coordination-chemistry pyridine tetrazole
Lev Krasnov, Dmitry Malikov, Marina Kiseleva +3 more · 2025 · · added 2026-04-20
no PDF DOI: 10.26434/chemrxiv-2025-1nqvm-v2
ML anticancer coordination-chemistry
Tripti Mishra, Navneet Dubey, Sudipta Basu · 2024 · Organic & Biomolecular Chemistry · Royal Society of Chemistry · added 2026-04-20
The endoplasmic reticulum plays an important role in maintaining the protein homeostasis of cells as well as regulating Ca2+ storage. An increased load of unfolded proteins in the endoplasmic Show more
The endoplasmic reticulum plays an important role in maintaining the protein homeostasis of cells as well as regulating Ca2+ storage. An increased load of unfolded proteins in the endoplasmic reticulum due to alterations in the cell's metabolic pathway leads to the activation of the unfolded protein response, also known as ER stress. ER stress plays a major role in maintaining the growth and survival of various cancer cells, but persistent ER stress can also lead to cell death and hence can be a therapeutic pathway in the treatment of cancer. In this review, we focus on different types of small molecules that impair different ER stress sensors, the protein degradation machinery, and chaperone proteins. We also review the metal complexes and other miscellaneous compounds inducing ER stress through multiple mechanisms. Finally, we discuss the challenges in this emerging area of research and the potential direction of research to overcome them towards next-generation ER-targeted cancer therapy. Show less
no PDF DOI: 10.1039/D4OB01238K
amino-acid coordination-chemistry review
Tayler D. Prieto Otoya, Kane T. McQuaid, Christine J. Cardin · 2024 · Medicinal Chemistry Research · Springer · added 2026-04-20
AbstractG-quadruplex DNA secondary structures are formed in guanine-rich sequences and have been found to play an important role in regulating different biological processes. Indeed, guanine-rich sequ Show more
AbstractG-quadruplex DNA secondary structures are formed in guanine-rich sequences and have been found to play an important role in regulating different biological processes. Indeed, guanine-rich sequences with the potential to form G-quadruplexes are present in different regions in the human genome, such as telomeres and the promoter region of different genes, including oncogene promoters. Thus, the rational design of small molecules capable of interacting, stabilising or damaging with high specificity these secondary structures represents an important strategy for the development of potent anticancer drugs. In this review, we highlight the interaction between G-quadruplex structures and their ligands, specifically emphasising the role of metal complexes. We provide detailed structural insight into the binding modes of metal complex-G-quadruplex interaction by analysing 18 sets of coordinates from X-ray and NMR currently available in the Protein Data Bank (PDB), with a primary focus on X-ray structural data. Show less
📄 PDF DOI: 10.1007/s00044-024-03309-w
NMR X-ray amino-acid anticancer coordination-chemistry review
Krasnov, Lev, Tatarin, Sergei, Smirnov, Daniil +1 more · 2024 · Nature Publishing Group · Nature · added 2026-04-20
Iridium(III) complexes nowadays became rising stars in various health-related applications. Thus, there is a necessity to assess cytotoxicity of the synthesized molecules against cancer/normal cell li Show more
Iridium(III) complexes nowadays became rising stars in various health-related applications. Thus, there is a necessity to assess cytotoxicity of the synthesized molecules against cancer/normal cell lines. In this report, we present a dataset of 2694 experimental cytotoxicity values of 803 iridium complexes against 127 different cell lines. We specify the experimental conditions and provide representation of the complexes molecules in machine-readable format. The dataset provides a starting point for exploration of new iridium-based cellular probes and opens new possibilities for predictions of toxicities and data-driven generation of new organometallic anticancer agents. Show less
📄 PDF DOI: 10.1038/s41597-024-03735-w
Ir anticancer coordination-chemistry synthesis
Jan Belza, Zdeněk Trávníček, Ján Vančo +3 more · 2024 · Organometallics · ACS Publications · added 2026-04-20
no PDF DOI: 10.1021/acs.organomet.4c00093
Au NHC anticancer coordination-chemistry
Utpal Das, Uttara Basu, Priyankar Paira · 2024 · Dalton Transactions · Royal Society of Chemistry · added 2026-04-20
As the most frequent and deadly type of cancer in women, breast cancer has a high propensity to spread to the brain, bones, lymph nodes, and lungs. The discovery of cisplatin marked the beginn Show more
As the most frequent and deadly type of cancer in women, breast cancer has a high propensity to spread to the brain, bones, lymph nodes, and lungs. The discovery of cisplatin marked the beginning of the development of anticancer metal-based medications, although the drug's severe side effects have limited its usage in clinical settings. The remarkable antimetastatic and anticancer activity of different ruthenium complexes such as NAMI-A, KP1019, KP1339, etc. reported in the 1980s has bolstered the discovery of ruthenium complexes with various types of ligands for anticancer applications. The review meticulously elucidates the cytotoxic and antimetastatic potential of reported ruthenium complexes against breast cancer cells. Notably, arene-based and cyclometalated ruthenium complexes emerge as standout candidates, showcasing remarkable potency with notably low IC50 values. These findings underscore the promising therapeutic avenues offered by ruthenium-based compounds, particularly in addressing the challenges posed by conventional treatments in refractory or aggressive breast cancer subtypes. Moreover, the review comprehensively integrates a spectrum of ruthenium complexes, spanning traditional metal complexes to nano-based formulations and light-activated variants, underscoring the versatility and adaptability of ruthenium chemistry in breast cancer therapy. Show less
no PDF DOI: 10.1039/D4DT01482K
Ru anticancer coordination-chemistry cyclometalating review
Yu. A. Golubeva, Golubeva, Yu. A., E. V. Lider +1 more · 2024 · Pleiades Publishing · added 2026-04-20
Abstract The review is devoted to copper coordination compounds based on 2,2′-bipyridine / 1,10-phenanthroline and diverse N-, O-, S-donor ligands exhibiting cytotoxic properties. Therefore, they can Show more
Abstract The review is devoted to copper coordination compounds based on 2,2′-bipyridine / 1,10-phenanthroline and diverse N-, O-, S-donor ligands exhibiting cytotoxic properties. Therefore, they can be a starting platform for developing antitumor drugs. The review covers the structural aspects of the complexes, the features of their cytotoxic activity and its mechanism, as well as in vivo studies. Show less
no PDF DOI: 10.1134/S0022476624060088
Cu anticancer coordination-chemistry pyridine review