2025 to Date
| In vivo screen of Plasmodium targets for mosquito-based malaria control Nature (2025) doi |
| The RAD52 double-ring remodels replication forks restricting fork reversal Nature (2025) doi |
| Cholesterol-targeting Wnt–β-catenin signaling inhibitors for colorectal cancer Nature Chemical Biology (2025) doi |
| Computational design of highly signalling-active membrane receptors through solvent-mediated allosteric networks Nature Chemistry (2025) doi |
| Oral ENPP1 inhibitor designed using generative AI as next generation STING modulator for solid tumors Nature Communications 16 (1) (2025) 4793 doi |
| Identification of naturally occurring drug-resistant mutations of SARS-CoV-2 papain-like protease Nature Communications 16 (1) (2025) 4548 doi |
| Tandem ketone reduction in pepstatin biosynthesis reveals an F420H2–dependent statine pathway Nature Communications 16 (1) (2025) 4531 doi |
| A hidden cysteine in Fis1 targeted to prevent excessive mitochondrial fission and dysfunction under oxidative stress Nature Communications 16 (1) (2025) 4187 doi |
| Distinct oligomeric assemblies of STING induced by non-nucleotide agonists Nature Communications 16 (1) (2025) 3440 doi |
| Targeting vascular adhesion protein-1 and myeloperoxidase with a dual inhibitor SNT-8370 in preclinical models of inflammatory disease Nature Communications 16 (1) (2025) 3430 doi |
| Tip60 HAT activators as therapeutic modulators for Alzheimer’s disease Nature Communications 16 (1) (2025) 3347 doi |
| Species differences in opsonization and phagocyte recognition of preclinical poly-2-alkyl-2-oxazoline-coated nanoparticles Nature Communications 16 (1) (2025) 2642 doi |
| Knowledge-guided diffusion model for 3D ligand-pharmacophore mapping Nature Communications 16 (1) (2025) 2269 doi |
| Discovery of selective low molecular weight interleukin-36 receptor antagonists by encoded library technologies Nature Communications 16 (1) (2025) 1669 doi |
| Macrocycle-based PROTACs selectively degrade cyclophilin A and inhibit HIV-1 and HCV Nature Communications 16 (1) (2025) 1484 doi |
| Lipoic acid-boronophenylalanine-derived multifunctional vesicles for cancer chemoradiotherapy Nature Communications 16 (1) (2025) 1329 doi |
| Targeting chromosomally unstable tumors with a selective KIF18A inhibitor Nature Communications 16 (1) (2025) 307 doi |
| Characterization and structural analysis of a versatile aromatic prenyltransferase for imidazole-containing diketopiperazines Nature Communications 16 (1) (2025) 144 doi |
| Microbiota-derived succinate promotes enterohaemorrhagic Escherichia coli virulence via lysine succinylation Nature Microbiology (2025) doi |
| The Logic of Chemical Optimization Journal of Medicinal Chemistry (2025) doi |
| Discovery and Characterization of a First-in-Class LIV1-TLR7/8 Immunomodulatory Conjugate with Robust Myeloid Activation and Antitumor Activity Journal of Medicinal Chemistry (2025) doi |
| Exploring Long Arm Amide-Linked Side Chains in the Design of Antifungal Azole Inhibitors of Sterol 14α-Demethylase (CYP51) Journal of Medicinal Chemistry (2025) doi |
| Steric Hindrance-Engineered Redox-Responsive Disulfide-Bridged Homodimeric Prodrug Nanoassemblies for Spatiotemporally Balanced Cancer Chemotherapy Journal of Medicinal Chemistry (2025) doi |
| De Novo-Designed APC/C Inhibitors Provide a Rationale for Targeting RING-Type E3 Ubiquitin Ligases Journal of Medicinal Chemistry (2025) doi |
| Discovery of an Orally Bioavailable and Brain Penetrant Selective Estrogen Receptor Degrader Journal of Medicinal Chemistry (2025) doi |
| Structural Optimization of 1,3-Diaryl-1,2,4-triazole-Capped Histone Deacetylase 6 Inhibitors to Obtain Novel Antiesophageal Cancer Candidates Journal of Medicinal Chemistry (2025) doi |
| Discovery of RP-1664: A First-in-Class Orally Bioavailable, Selective PLK4 Inhibitor Journal of Medicinal Chemistry (2025) doi |
| Selective, Non-nucleotidic Radiotracer for P2Y12 Receptors: Design, Synthesis, Characterization, and Imaging of Brain Slices Journal of Medicinal Chemistry (2025) doi |
| Design, Synthesis, and Evaluation of Novel ROCK Inhibitors for Glaucoma Treatment: Insights into In Vitro and In Vivo Efficacy and Safety Journal of Medicinal Chemistry (2025) doi |
| Structure-Guided Design of Pyrazolopyrimidinones as Highly Potent and Selective Allosteric SHP2 Inhibitors Journal of Medicinal Chemistry (2025) doi |
| Discovery of Naphthyridinone Derivatives as Selective and Potent PKMYT1 Inhibitors with Antitumor Efficacy Journal of Medicinal Chemistry (2025) doi |
| Fentanyl–Antibody Interaction as a Novel Strategy against Opiates and Opioids Abuse Journal of Medicinal Chemistry (2025) doi |
| Carboxylesterase-Triggered Theranostic Agent: Advancing Near-Infrared Imaging and Therapeutic Efficacy in Hepatocellular Carcinoma Journal of Medicinal Chemistry (2025) doi |
| From N-0385 to N-0920: Unveiling a Host-Directed Protease Inhibitor with Picomolar Antiviral Efficacy against Prevalent SARS-CoV-2 Variants Journal of Medicinal Chemistry (2025) doi |
| Real Way to Target Gram-Negative Pathogens: Discovery of a Novel Helicobacter pylori Antibiotic Class Journal of Medicinal Chemistry (2025) doi |
| Discovery of the 2,3-Dihydrobenzopyrane-4-one as a Potent FTO Inhibitor against Obesity-Related Metabolic Diseases Journal of Medicinal Chemistry (2025) doi |
| Discovery of Potent and Balanced Dual RIPK2 and 3 Inhibitors as a New Strategy for the Treatment of Inflammatory Bowel Diseases Journal of Medicinal Chemistry (2025) doi |
| Discovery of Novel SIK2/3 Inhibitors for the Potential Treatment of MEF2C+ Acute Myeloid Leukemia (AML) Journal of Medicinal Chemistry (2025) doi |
| Discovery of a Pyrazolopyridinone-Based MYC Inhibitor That Selectively Engages Intracellular c-MYC and Disrupts MYC–MAX Heterodimerization Journal of Medicinal Chemistry (2025) doi |
| Design, Synthesis, and Biological Activity of Novel Ornithine Decarboxylase (ODC) Inhibitors Journal of Medicinal Chemistry (2025) doi |
| Structural Optimization of Covalent Inhibitors for Deubiquitinase ChlaDUB1 of Chlamydia trachomatis as Antibiotic Agents Journal of Medicinal Chemistry (2025) doi |
| Discovery of Novel Isoxazole-Based Small-Molecule Toll-Like Receptor 8 Antagonists Journal of Medicinal Chemistry (2025) doi |
| Design, Synthesis, and Biological Evaluation of Novel Orally Available Covalent CDK12/13 Dual Inhibitors for the Treatment of Tumors Journal of Medicinal Chemistry (2025) doi |
| Discovery of Pyrrolopyrazine Carboxamide Derivatives as Potent and Selective FGFR2/3 Inhibitors that Overcome Mutant Resistance Journal of Medicinal Chemistry (2025) doi |
| Discovery of Novel Spirocyclic MAT2A Inhibitors Demonstrating High In Vivo Efficacy in MTAP-Null Xenograft Models Journal of Medicinal Chemistry (2025) doi |
| Discovery of Potent, Highly Selective, and Orally Bioavailable MTA Cooperative PRMT5 Inhibitors with Robust In Vivo Antitumor Activity Journal of Medicinal Chemistry (2025) doi |
| Discovery of 2(1H)-Quinoxalinone Derivatives as Potent and Selective MAT2A Inhibitors for the Treatment of MTAP-Deficient Cancers Journal of Medicinal Chemistry (2025) doi |
| Examining Arginase-1 Trimerization Uncovers a Promising Allosteric Site for Inhibition Journal of Medicinal Chemistry (2025) doi |
| Structure-based design, synthesis and biological evaluation of a novel d-amino acid-containing peptide inhibitor by blocking the RAD51-BRCA2 interaction for the treatment of kidney cancer European Journal of Medicinal Chemistry 287 (2025) 117372 doi |
| Design, synthesis, and biological evaluation of novel and highly potent peptides targeting syntenin European Journal of Medicinal Chemistry (2025) 117446 doi |
| Structure optimization at position five of 4-thiazolidinone resulted in new potent PIM1 kinase inhibitors with apoptosis induction and caspase 3/7 activation capabilities for combating colorectal cancer European Journal of Medicinal Chemistry Reports 15 (2025) 100279 doi |
| Design, synthesis, and biological evaluation of new tetrahydropyrimidine derivatives as multitarget anti-inflammatory agents European Journal of Medicinal Chemistry Reports 13 (2025) 100259 doi |
| Protein corona as a mediator in antibiotic adsorption onto microplastics: Mechanisms and implications International Journal of Biological Macromolecules 311 (2025) 143982 doi |
| Discovery of 1-phenyl-1,2,3-triazole ureas as dual VEGFR-2/JNK-1 type II kinase inhibitors targeting pancreatic cancer International Journal of Biological Macromolecules 308 (2025) 142372 doi |
| Molecular simulations guiding recombinant mussel protein with enhanced applicable properties for adhesive materials International Journal of Biological Macromolecules 307 (2025) 141988 doi |
| HuMSCs-derived exosomal YBX1 participates in oxidative damage repair in granulosa cells by stabilizing COX5B mRNA in an m5C-dependent manner International Journal of Biological Macromolecules (2025) 143288 doi |
| Enhancing catalytic efficiency of two microbial uricases making by directed evolution International Journal of Biological Macromolecules 301 (2025) 140485 doi |
| New mechanistic insights on transferrin synthesis inhibition and release of bound iron mediated by lead loaded ultrafine carbon black International Journal of Biological Macromolecules (2025) 141780 doi |
| Insights into the catalytic mechanism of archaeal peptidoglycan endoisopeptidases from methanogenic phages International Journal of Biological Macromolecules 296 (2025) 139672 doi |
| Key site residues of Cnaphalocrocis medinalis odorant-binding protein 13 CmedOBP13 involved in interacting with rice plant volatiles International Journal of Biological Macromolecules 290 (2025) 139007 doi |
| Comparative phytochemical and biological evaluation of Egyptian Swinglea glutinosa stems and leaves Scientific Reports 15 (1) (2025) 19543 doi |
| Design synthesis, characterization, molecular docking and antimicrobial evaluation of novel heterocycles with acrylonitrile and anthracene moieties Scientific Reports 15 (1) (2025) 19370 doi |
| Structural and biomedical investigations of novel ruthenium schiff base complexes Scientific Reports 15 (1) (2025) 18546 doi |
| Phytochemical, biological, DFT, and molecular docking evaluation of Euphorbia paralias Scientific Reports 15 (1) (2025) 17961 doi |
| Exploring the antitrypanosomal potential of rosemary root endophytic fungi with metabolomic profiling and molecular docking insights Scientific Reports 15 (1) (2025) 16921 doi |
| Unraveling the molecular drivers of antibacterial prenylated (iso)flavonoids and chalcones against Streptococcus mutans Scientific Reports 15 (1) (2025) 14776 doi |
| Exploring the anti-inflammatory activity of fupenzic acid using network pharmacology and experimental validation Scientific Reports 15 (1) (2025) 14294 doi |
| Computer aided study on cyclic tetrapeptide based ligands as potential inhibitors of Proplasmepsin IV Scientific Reports 15 (1) (2025) 13865 doi |
| Design, spectroscopic analysis, DFT calculations, adsorption evaluation, molecular docking, comprehensive in silico and in vitro bioactivity studies of thiocarbohydrazide grafted dialdehyde cellulose nanobiosorbent Scientific Reports 15 (1) (2025) 13319 doi |
| Chemical profile, virtual screening, and virulence-inhibiting properties of Sphagneticola trilobata L. essential oils against Pseudomonas aeruginosa Scientific Reports 15 (1) (2025) 11964 doi |
| Structural insights into fungal and human topoisomerase II with implications for in silico antifungal drug design Scientific Reports 15 (1) (2025) 9467 doi |
| Exploring mitochondrial and ferroptotic mechanisms for systemic lupus erythematosus biomarker identification and therapy Scientific Reports 15 (1) (2025) 9140 doi |
| 1, 4-benzodioxan-substituted Thienyl chalcone derivatives as novel reversible inhibitors of human monoamine oxidase B with anti-neuroinflammatory activity Scientific Reports 15 (1) (2025) 8690 doi |
| Receptor mechanism producing a sweet taste from plant aroma compounds Scientific Reports 15 (1) (2025) 6795 doi |
| Molecular mechanism of type ib MET inhibitors and their potential for CNS tumors Scientific Reports 15 (1) (2025) 6926 doi |
| Application of in-silico docking for green electrochemical quantification of prucalopride succinate in pharmaceutical, urine, and milk matrices Scientific Reports 15 (1) (2025) 5895 doi |
| 9-aminominocycline potentiates the efficacy of EIDD-1931 and PF-332 by targeting the papain like protease enzyme of SARS-CoV-2 Scientific Reports 15 (1) (2025) 5671 doi |
| Martini compatible coarse-grained model of polyethylenimine for pulmonary gene delivery Scientific Reports 15 (1) (2025) 4377 doi |
| Development of detection system for lead ions in mixture solutions using UV-Vis measurements with peptide immobilized microbeads Scientific Reports 15 (1) (2025) 3249 doi |
| Evaluation of hesperidin as a potential larvicide against Culex pipiens with computational prediction of its mode of action via molecular docking Scientific Reports 15 (1) (2025) 2677 doi |
| Integrating machine learning and structure-based approaches for repurposing potent tyrosine protein kinase Src inhibitors to treat inflammatory disorders Scientific Reports 15 (1) (2025) 1836 doi |
| Synthesis, in vitro and in-silico evaluation of amide derivatives as prospective antimicrobial and antileishmanial agents Future Medicinal Chemistry (2025) 1-14 doi |
| Benzothiazole derivatives as inhibitors of chikungunya virus replicative cycle Future Medicinal Chemistry (2025) 1-13 doi |
| PocketSCP: A Method for Spatiotemporal Topological Visualization and Analysis of Protein Pocket Dynamics Journal of Chemical Information and Modeling (2025) doi |
| Combined In Vitro and In Silico Workflow to Deliver Robust, Transparent, and Contextually Rigorous Models of Bioactivity Journal of Chemical Information and Modeling (2025) doi |
| QM/MM Study of the Metabolic Oxidation of 6′,7′-Dihydroxybergamottin Catalyzed by Human CYP3A4: Preferential Formation of the γ-Ketoenal Product in Mechanism-Based Inactivation Journal of Chemical Information and Modeling (2025) doi |
| Integrated Virtual Screening Approach Identifies New CYP19A1 Inhibitors Journal of Chemical Information and Modeling (2025) doi |
| Understanding Conformation Importance in Data-Driven Property Prediction Models Journal of Chemical Information and Modeling (2025) doi |
| OpenMMDL Journal of Chemical Information and Modeling (2025) doi |
| Mechanism of Regio- and Enantioselective Hydroxylation of Arachidonic Acid Catalyzed by Human CYP2E1: A Combined Molecular Dynamics and Quantum Mechanics/Molecular Mechanics Study Journal of Chemical Information and Modeling (2025) doi |
| Impact of Varying Velocities and Solvation Boxes on Alchemical Free-Energy Simulations Journal of Chemical Information and Modeling (2025) doi |
| Thermal Titration Molecular Dynamics: The Revenge of the Fragments Journal of Chemical Information and Modeling (2025) doi |
| Rationalizing Predictions of Isoform-Selective Phosphoinositide 3-Kinase Inhibitors Using MolAnchor Analysis Journal of Chemical Information and Modeling (2025) doi |
| Post-Docking Refinement of Peptide or Protein-RNA Complexes Using Thermal Titration Molecular Dynamics (TTMD): A Stability Insight Journal of Chemical Information and Modeling (2025) doi |
| PPDock: Pocket Prediction-Based Protein–Ligand Blind Docking Journal of Chemical Information and Modeling (2025) doi |
| Prediction of Proteolysis-Targeting Chimeras Retention Time Using XGBoost Model Incorporated with Chromatographic Conditions Journal of Chemical Information and Modeling (2025) doi |
| CovCysPredictor: Predicting Selective Covalently Modifiable Cysteines Using Protein Structure and Interpretable Machine Learning Journal of Chemical Information and Modeling (2025) doi |
| In silico screening and synthesis of stable tilmicosin-hydrazone derivatives as potential DNA disruptors towards Staphylococcus aureus Bioorganic Chemistry (2025) 108336 doi |
| Molecular simulations guided drugs repurposing to inhibit human GPx1 enzyme for cancer therapy Bioorganic Chemistry (2025) 108279 doi |
| Dimethylallylated stilbenoids by chemo-selective prenyltransferases and their α-glucosidase inhibitory effects Bioorganic Chemistry (2025) 108261 doi |
| From closed to open: three dynamic states of membrane-bound cytochrome P450 3A4 Journal of Computer-Aided Molecular Design 39 (1) (2025) 12 doi |
| Inhibition of the clathrin terminal domain – amphiphysin protein-protein interaction. Probing the Pitstop® 2 aromatic moiety ChemMedChem n/a (n/a) (2025) e202500321 doi |
| Quinoline ATP Synthase Inhibitors with Activity Against Multidrug Resistant Acinetobacter baumannii and Pseudomonas aeruginosa ChemMedChem n/a (n/a) (2025) e202400952 doi |
| Molecular insights into the role of Estrogen Receptor Beta in Ecdysterone Mediated Anabolic Activity PLOS ONE 20 (6) (2025) e0320865 doi |
| Innovation of eco-friendly TiO2 nano catalyst for new pyrimidine carbonitiriles candidates, assessed for significant antioxidant activity, anti-inflammatory effects, and by insilico studies PLOS ONE 20 (5) (2025) e0313959 doi |
| Integrating in vitro and in silico approaches for exploring antidiabetic potential of dimethyl and thiomethyl indolinone derivatives PLOS ONE 20 (5) (2025) e0319987 doi |
| Molecular dynamics simulation based prediction of T-cell epitopes for the production of effector molecules for liver cancer immunotherapy PLOS ONE 20 (1) (2025) e0309049 doi |
| Investigation of the inhibitory potential of secondary metabolites isolated from Fernandoa adenophylla against Beta-glucuronidase via molecular docking and molecular dynamics simulation studies PLOS ONE 20 (5) (2025) e0324100 doi |
| Exploring the antimicrobial and antibiofilm potency of four essential oils against selected human pathogens using in vitro and in silico approaches PLOS ONE 20 (4) (2025) e0315663 doi |
| Therapeutic role of Crateva religiosa in diabetic nephropathy: Insights into key signaling pathways PLOS ONE 20 (5) (2025) e0324028 doi |
| Development and comparison of single FLT3-inhibitors to dual FLT3/TAF1-inhibitors as an anti-leukemic approach PLOS ONE 20 (3) (2025) e0320443 doi |
| Exploring cotton plant compounds for novel treatments against brain-eating Naegleria fowleri: An In-silico approach PLOS ONE 20 (2) (2025) e0319032 doi |
| In Silico Discovery of a Novel Antiviral Scaffold for SARS-CoV-2 Targeting the Spike Glycoprotein through the Fatty Acid Binding Pocket ACS Omega (2025) doi |
| Semisynthesis of Novel Alicyclic Triterpene-Triazole Derivatives from Boswellia sacra Gum Resin: Potential Anti-breast Cancer and Immunomodulatory Effects on T-Cell Activation ACS Omega (2025) doi |
| DDtrek: A PyMOL-Based Management System for 3D Structural Data Series ACS Omega (2025) doi |
| Molecular Insights into the Binding of Organophosphate Flame Retardant Key Metabolites with Mineralocorticoid and Estrogen Receptors ACS Omega (2025) doi |
| Computational Insight into the Intercalating Properties of Cryptolepine ACS Omega (2025) doi |
| In Silico Functional Annotation and Structural Characterization of Hypothetical Proteins in Bacillus paralicheniformis and Bacillus subtilis Isolated from Honey ACS Omega (2025) doi |
| Uncovering the Binding Mechanism of Mutated Omicron Variants via Computational Strategies ACS Omega (2025) doi |
| Biginelli dihydropyrimidines and their acetylated derivatives as L-/T-type calcium channel blockers: Synthesis, enantioseparation, and molecular modeling studies Archiv der Pharmazie 358 (3) (2025) e2400584 doi |
| Chemoselective synthesis, structural elucidation, antitumor activity, Hirshfeld surface, and Fukui functions analysis of new thiophene derivatives Journal of Molecular Structure 1343 (2025) 142826 doi |
| Pyrazole-pyridine-carbohydrazone hybrids as promising antioxidants: synthesis, characterization, DFT, ADME, and molecular docking studies on cyclooxygenase-2 Journal of Molecular Structure 1337 (2025) 142201 doi |
| Synthesis of 1,3,4-Oxadiazole Derivatives via Transition Metal Catalyzed Cross-Coupling and their Biological Evaluation as Selective Inhibitors of Ecto-Nucleoside Triphosphate Diphosphohydrolase (NTPDase)-2, -3 and -8 Inhibitors Journal of Molecular Structure (2025) 142731 doi |
| Synthesis, spectroscopic, characterization, X-ray single crystal, DNA interaction, DFT and molecular docking studies of a new Schiff base ligand derived from 1-((2-hydroxy-2-phenylethylimino)methyl)naphthalen-2-ol, and some transition metal; Mn(II), Fe(II), Co(II), Ni(II), Cu(II), and Pd(II) complexes Journal of Molecular Structure 1330 (2025) 141511 doi |
| Synthesis, crystal structure, Hirshfeld and docking studies of one-dimensional copper(II) coordination polymer incorporating adeninato, 5-methyluracilato and ammonia ligands Journal of Molecular Structure (2025) 142581 doi |
| Exploring 2-Mercaptobenzimidazole-Derived N-Acylhydrazide-Hydrazones for Anticholinesterase Activity: Synthesis, Docking, and DFT Investigations Journal of Molecular Structure (2025) 142587 doi |
| Pyrazolopyrimidine fused Thiazolidinone Hybrids as CDK2 Inhibitors: Insights from Pharmacophore Modeling, Docking, DFT and Molecular Dynamics Simulations Journal of Molecular Structure (2025) 142009 doi |
| Streptonaps A-C, three naphthalenones from a deep-soil derived Streptomyces netropsis GZWMJZ-1323, and their cytotoxicity Journal of Molecular Structure (2025) 141803 doi |
| Synthesis, molecular modeling, DFT studies, and enantioseparation of tetrahydro-4H-chromene derivatives with calcium channel blocking activity Journal of Molecular Structure (2025) 141457 doi |
| Virtual screening and binding mechanism of allosteric inhibitors based on SHP2E76A Journal of Molecular Structure (2025) 141429 doi |
| Efficiency of QM/MM optimization and fragment molecular orbital calculations for investigating interactions between zinc metalloprotease and its inhibitors Journal of Molecular Graphics and Modelling (2025) 108977 doi |
| In Silico and Experimental Evidence for the Stabilization of rhEPO by Glycine, Glutamic Acid and Lysine AAPS PharmSciTech 26 (1) (2025) 21 doi |
| Supramolecular Combination Chemotherapy: Directly Inducing Immunogenic Cell Death To Inhibit Tumor Metastasis via Host–Guest Interactions ACS Applied Materials & Interfaces (2025) doi |
| Reprogramming the Cyclization of the Sesquiterpene Synthase BcBOT2 Using 2,3-Z-Configured FPP Derivatives and by Means of “Methyl Mapping” ACS Catalysis (2025) 8125-8139 doi |
| Expanding the “Terpenome”: Diterpene Synthases Accept GGPP-Ether Substrates ACS Catalysis (2025) 6796-6811 doi |
| Stereo- and Regioselective Metabolism of the Omeprazole Enantiomers by CYP2C19: Insights from Binding Free Energy and QM/MM Calculations in a Curtin–Hammett Framework ACS Catalysis (2025) 3284-3294 doi |
| Discovery of Dual ROCK1/2 Inhibitors from Nocardiopsis sp. under Metal Stress ACS Chemical Biology (2025) doi |
| Chemoproteomic Profiling of Clickable Fumarate Probes for Target Identification and Mechanism of Action Studies ACS Chemical Biology (2025) doi |
| Cerdulatinib Improves Sensorimotor Function and Memory Ability in Mice Suffering from Ischemic Stroke through Targeting Caspase-3-Dependent Apoptosis ACS Chemical Neuroscience (2025) doi |
| Exploring the Potential of Indole-3-acetic Acid Arylhydrazone Hybrids for Parkinson’s Disease Treatment: A Comprehensive Evaluation of Neuroprotective, MAOB Inhibitory, and Antioxidant Properties ACS Chemical Neuroscience (2025) doi |
| Monoamine Oxidase Inhibitors Present in Tobacco Modulate Dopamine Balance Via the Dopamine Transporter ACS Chemical Neuroscience (2025) doi |
| Differential Effects of Aβ Peptides on the Plasmin-Dependent Degradation of ApoE3 and ApoE4 ACS Chemical Neuroscience (2025) doi |
| Synthesis of Marine-Inspired Multifaceted DNA Damaging Spirooxindoles Combating NSCLC and Associated Bacterial Infection ACS Medicinal Chemistry Letters (2025) doi |
| Quantum Mechanics-Based Ranking of Predicted Proteolysis Targeting Chimeras-Mediated Ternary Complexes ACS Medicinal Chemistry Letters (2025) doi |
| Novel Cyclohexyl Amido Acid Antagonists of Lysophosphatidic Acid Type 1 Receptor for the Treatment of Pulmonary Fibrosis ACS Medicinal Chemistry Letters (2025) doi |
| Multi-Target Glitazones for Modulating Peroxisome Proliferator-Activated Receptor-γ, Cyclooxygenase-2, and Carbonic Anhydrases for the Management of Metabolic Dysfunction ACS Pharmacology & Translational Science (2025) doi |
| Targeting Neutrophil-Mediated Inflammation: Identification of Pyrazolidinone Carboxamide Derivatives as Potent Selective Inhibitors of Formyl Peptide Receptor 1 (FPR1)-Activated Neutrophils ACS Pharmacology & Translational Science (2025) doi |
| Discovery of SARS-CoV-2 Nsp14-Methyltransferase (MTase) Inhibitors by Harnessing Scaffold-Centric Exploration of the Ultra Large Chemical Space ACS Pharmacology & Translational Science (2025) doi |
| Investigation of the DNA Methylation-Modified 8–17 DNAzyme Functions via Sensitive Catalytic Hairpin Self-Assembly Reaction ACS Sensors (2025) doi |
| A High-Throughput Cell-Free Enzyme Screening System Using Redox-Responsive Hydrogel Beads as Artificial Compartments ACS Synthetic Biology (2025) doi |
| Biotransformation of quercetin by Bacillus subtilis and anticancer activity evaluation: in vitro and in Silico AMB Express 15 (1) (2025) 58 doi |
| Yuanhuacine suppresses head and neck cancer growth by promoting ASCT2 degradation and inhibiting glutamine uptake Acta Pharmacologica Sinica (2025) doi |
| Screening Natural Cholesterol Analogs to Assemble Self-Adjuvant Lipid Nanoparticles for Antigens Tagging Guided Therapeutic Tumor Vaccine Advanced Materials n/a (n/a) (2025) 2419182 doi |
| Targeting Senescence with Apigenin Improves Chemotherapeutic Efficacy and Ameliorates Age-Related Conditions in Mice Advanced Science n/a (n/a) (2025) 2412950 doi |
| HACD2 Promotes Pancreatic Cancer Progression by Enhancing PKM2 Dissociation From PRKN in a Dehydratase-Independent Manner Advanced Science n/a (n/a) (2025) 2407942 doi |
| Sensitive amperometric immunosensor for pathogen antigen based on MoS2@AuNPs assembling dual-peptide as bioprobes with significant dual signal amplification Analytica Chimica Acta 1355 (2025) 344015 doi |
| Toluene Toxicity in the Brain: From Cellular Targets to Molecular Mechanisms Annual Review of Pharmacology and Toxicology 65 (Volume 65, 2025) (2025) 487-506 doi |
| Spectrum of cefepime-taniborbactam coverage against 190 β-lactamases defined in engineered isogenic Escherichia coli strains Antimicrobial Agents and Chemotherapy 0 (0) (2025) e01699-24 doi |
| “Insights in the RSV L polymerase function and structure” Antiviral Research (2025) 106148 doi |
| Isolation, characterization, antidiabetic and antityrosinase potentials of compounds isolated from Anabasis Articulata Applied Food Research 5 (1) (2025) 100949 doi |
| The Effect of Anion, Steric Factors on the Catalytic Activity of Hydrogen Peroxide, Biological Activities, Docking, and DFT Calculations of Novel Mixed Ligand of Copper Complexes Applied Organometallic Chemistry 39 (6) (2025) e70220 doi |
| Targeted Colon Cancer and Chemotherapeutic Through Metal Glycoconjugates: Design, Synthesis, Molecular Docking, and DFT Investigations Applied Organometallic Chemistry 39 (3) (2025) e70000 doi |
| Versatile New Lanthanide Complexes Containing Organic Ligand Derived From Vitamin B6 as Potential Tyrosinase Inhibitors: Synthesis, Characterizations, and Structure Activity Investigations Applied Organometallic Chemistry 39 (3) (2025) e70024 doi |
| New Mononuclear Metal Complexes Based on 3-Acetyl-4-Hydroxy Coumarin as Potential Antitumor Agents: Full Structural Elucidation, Theoretical Calculations, and Biological Activity Studies Applied Organometallic Chemistry 39 (1) (2025) e7924 doi |
| Design, synthesis of N-thianyl indole acetamide derivatives as potential plant growth regulator Arabian Journal of Chemistry 18 (1) (2025) 106082 doi |
| Sustainable synthesis of bivalent Ni2+, Co2+, and Cu2+ Schiff base complexes via ball milling as a green approach: A study of spectroscopic characterization, cyclic voltammetry, bioactivity, DFT analysis, SAR, drug likeness, and molecular docking Arabian Journal of Chemistry 18 (2025) 562025 doi |
| Hybrid approach for drug-target interaction predictions in ischemic stroke models Artificial Intelligence in Medicine 161 (2025) 103067 doi |
| Identification of Epinastine as CD96/PVR inhibitor for cancer immunotherapy BMC Biology 23 (1) (2025) 27 doi |
| Green chromatographic approach to determine methocarbamol, aspirin and their related impurities in their combined pharmaceutical formulation and human plasma: with computational evaluation BMC Chemistry 19 (1) (2025) 136 doi |
| Novel 5,6-dichlorobenzimidazole derivatives as dual BRAFWT and BRAFV600E inhibitors: design, synthesis, anti-cancer activity and molecular dynamics simulations BMC Chemistry 19 (1) (2025) 45 doi |
| 4-(1-Methylamino)ethylidene-1,5-disubstituted pyrrolidine-2,3-diones: synthesis, anti-inflammatory effect and in silico approaches Beilstein Journal of Organic Chemistry 21 (2025) 817-829 doi |
| Interrogation of Structure–Activity Relationships in Charge Variants of Therapeutic IgG2s Enabled by Free-Flow Isoelectric Focusing Fractionation BioDrugs (2025) doi |
| Efficacy and Molecular Docking Study of Main Constituents of Murraya paniculata Biomass Extract Against Helicobacter pylori BioResources 20 (2) (2025) 3299-3314 doi |
| Eupalinolide B alleviates corticosterone-induced PC12 cell injury and improves depression-like behaviors in CUMS rats by regulating the GSK-3β/β-catenin pathway Biochemical Pharmacology 235 (2025) 116831 doi |
| Novel dog hepatic cytochrome P450 3A293 oxidizes endogenous testosterone and estradiol Biochemical Pharmacology (2025) 116846 doi |
| Malyngamide C a potential inhibitor of protein synthesis Machinery targeting peptide deformylase enzyme Biochemical and Biophysical Research Communications 767 (2025) 151910 doi |
| Mechanistic Insights into the Anti-Rheumatoid Arthritis Effects of Ursolic Acid from Periploca forrestii Schltr. via Network Pharmacology, Molecular Docking, and Experimental Validation Biochemical and Biophysical Research Communications (2025) 152111 doi |
| A novel insecticide cybenzoxasulfyl potently binds to vesicular acetylcholine transporter and disrupts the storage and release of acetylcholine in insects Biochemical and Biophysical Research Communications (2025) 151792 doi |
| Berberine-loaded albumin nanoparticles alleviate liver damage in rats by modulating mitochondrial biogenesis and mitochondria-endoplasmic reticulum interactions Biochemical and Biophysical Research Communications (2025) 151555 doi |
| Molecular Dynamics Simulation Reveals Structural Insights into Isozyme Selectivity of Carbonic Anhydrase XII Inhibitors in Hypoxic Tumor Microenvironment Biochemical and Biophysical Research Communications (2025) 151471 doi |
| Structural, functional, and regulatory evaluation of a cysteine post-translationally modified Gcn5-related N-acetyltransferase Biochemical and Biophysical Research Communications (2025) 151299 doi |
| Unraveling the Binding Mode of TSC2–Rheb through Protein Docking and Simulations Biochemistry (2025) doi |
| Indole phytochemical camalexin as a promising scaffold for AcrB efflux pump inhibitors against Escherichia coli Biomedicine & Pharmacotherapy 182 (2025) 117779 doi |
| Integrated computational and biosensor-based strategies for the discovery of allosteric SMYD3 ligands using diperodon as a starting point Bioorganic & Medicinal Chemistry (2025) 118134 doi |
| Fatty acid conjugated BimBH3 analogues with d‑amino acid substitution as PTPN1 inhibitors with enhanced activity, biostability and orally available potency for the treatment of diabetes Bioorganic & Medicinal Chemistry (2025) 118107 doi |
| Derivatization of ophiobolin A and cytotoxicity toward breast and glioblastoma cancer stem cells: Varying the ketone and unsaturated aldehyde moieties Bioorganic & Medicinal Chemistry Letters (2025) 130112 doi |
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