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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 |
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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 |
Enhancing catalytic efficiency of two microbial uricases making by directed evolution International Journal of Biological Macromolecules 301 (2025) 140485 doi |
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Dimethylallylated stilbenoids by chemo-selective prenyltransferases and their α-glucosidase inhibitory effects Bioorganic Chemistry (2025) 108261 doi |
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Uncovering the Binding Mechanism of Mutated Omicron Variants via Computational Strategies ACS Omega (2025) doi |
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Virtual screening and binding mechanism of allosteric inhibitors based on SHP2E76A Journal of Molecular Structure (2025) 141429 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 |
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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 |
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 |
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 |
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Design, synthesis of N-thianyl indole acetamide derivatives as potential plant growth regulator Arabian Journal of Chemistry 18 (1) (2025) 106082 doi |
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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 |
Disrupted target binding with acryloyl group as potential Bcr-Abl/C-Src dual kinase inhibitor optimization strategies with maintained antitumor activity Bioorganic & Medicinal Chemistry Letters (2025) 130105 doi |
Modulating the pH-activity profile of the glucose isomerase from Thermotoga marimita by introducing positively and negatively charged residues Biophysical Chemistry 318 (2025) 107382 doi |
Ai-assisted identification of a novel Orthopoxvirus inhibitor targeting F13 Biosafety and Health (2025) doi |
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Developing novel Lin28 inhibitors by computer aided drug design Cell Death Discovery 11 (1) (2025) 5 doi |
The intestinal fungus Aspergillus tubingensis promotes polycystic ovary syndrome through a secondary metabolite Cell Host & Microbe 33 (1) (2025) 119-136.e11 doi |
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Design, Synthesis and Molecular Docking of New Thieno[2,3‑d]Pyrimidin-4-One Derivatives as Dual EGFR and FGFR Inhibitors Drug Development Research 86 (1) (2025) e70061 doi |
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Novel amyloid-β oligomer-targeted fluorescent probes Dyes and Pigments (2025) 112680 doi |
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Mechanisms Underlying the Size-Dependent Neurotoxicity of Polystyrene Nanoplastics in Zebrafish Environmental Science & Technology (2025) doi |
Combining in vitro, in vivo, and in silico approaches to evaluate the effect of serotonergic-based topical therapies on mild to moderate psoriasis European Journal of Pharmaceutical Sciences 206 (2025) 107013 doi |
The latest progress in assay development in leishmaniasis drug discovery: a review of the available papers on PubMed from the past year Expert Opinion on Drug Discovery (2025) 1-16 doi |
Exploring the dietary impacts and potential metabolic mechanisms of astaxanthin in common carp (Cyprinus carpio) Food Chemistry 465 (2025) 142069 doi |
Prediction of potential drug targets and key inhibitors (ZINC67974679, ZINC67982856, and ZINC05668040) against Rickettsia felis using integrated computational approaches Frontiers in Veterinary Science 11 (2025) doi |
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Discovery of novel EGFR and BRAF inhibitors by machine learning approach Intelligent Oncology 1 (1) (2025) 7-16 doi |
Supramolecular delivery systems for polyphenols: A green approach to predict in vivo permeability through an in vitro setup International Journal of Pharmaceutics (2025) 125170 doi |
The Hoverfly Attracting Property of a Methyl Salicylate-Containing (E)-β-Farnesene Analog (3e) and Potential Mechanism by Mediating the EcorOBP15 and EcorOR3 Journal of Agricultural and Food Chemistry (2025) doi |
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Calothrixin B by docking JAK2 is a potential therapeutic inhibitor for pancreatic ductal adenocarcinoma Journal of Pharmacy and Pharmacology (2025) rgae149 doi |
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Doxorubicin-loaded PEGylated liposome modified with ANGPT2-specific peptide for integrative glioma-targeted imaging and therapy Materials Today Bio (2025) 101455 doi |
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Unveiling the Anti-Biofilm Potential of Bee Venom Against Multi-Drug Resistant Human Pathogenic Bacteria and Fungi: Perspectives into the Efficacy and Possible Mechanisms Microbial Pathogenesis (2025) 107358 doi |
Optimizing antibody stability and efficacy in CD47- SIRPα inhibition via computational approaches Molecular Diversity (2025) doi |
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Structural Insights and Development of Small Molecule Inhibitors Targeting TGF-β Receptor I: A Comprehensive Review of Clinical Advances Molecular Therapy: Oncology (2025) doi |
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Three new alkaloids from Haplophyllum tuberculatum as competitive type of in-vitro α-glucosidase inhibitors Phytochemistry Letters 65 (2025) 94-101 doi |
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Dual EGFR and Telomerase Inhibitory Potential of New Triazole Tethered Schiff Bases Endowed with Apoptosis: Design, Synthesis, and Biological Assessments RSC Medicinal Chemistry (2025) doi |
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Probing Non Peptide Agonists Binding at Human Nociceptin/Orphanin FQ Receptor: A Molecular Modelling Study RSC Medicinal Chemistry (2025) doi |
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InterDIA: Interpretable Prediction of Drug-induced Autoimmunity through Ensemble Machine Learning Approaches Toxicology (2025) 154064 doi |
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Naringenin Decreases Retroperitoneal Adiposity and Improves Metabolic Parameters in a Rat Model of Western Diet-Induced Obesity Metabolites 15 (2) (2025) doi |
Molecular Dynamics-Assisted Discovery of Novel Phosphodiesterase-5 Inhibitors Targeting a Unique Allosteric Pocket Molecules 30 (3) (2025) doi |
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Molecular Dynamics Insights into Peptide-Based Tetrodotoxin Delivery Nanostructures Molecules 30 (1) (2025) doi |
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