2025 to Date
| 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 |
| Examining Arginase-1 Trimerization Uncovers a Promising Allosteric Site for Inhibition Journal of Medicinal Chemistry (2025) 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 |
| 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 |
| 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 |
| Indole phytochemical camalexin as a promising scaffold for AcrB efflux pump inhibitors against Escherichia coli Biomedicine & Pharmacotherapy 182 (2025) 117779 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 |
| Exploring phytoconstituent for confronting the symptoms of polycystic ovarian syndrome: molecular dynamics simulation, quantum studies, free energy calculations and network analysis approaches Chemical Physics Impact 10 (2025) 100787 doi |
| Exploring the dietary impacts and potential metabolic mechanisms of astaxanthin in common carp (Cyprinus carpio) Food Chemistry 465 (2025) 142069 doi |
| 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 |
| Cocrystallization of 5-FU and novel sulfathiazole Schiff bases: Synthesis, theoretical and experimental anticancer evaluation against MCF-7 and SW-480 cancer cell lines Journal of Molecular Liquids 420 (2025) 126850 doi |
| Doxorubicin-loaded PEGylated liposome modified with ANGPT2-specific peptide for integrative glioma-targeted imaging and therapy Materials Today Bio (2025) 101455 doi |
| An in silico designed peptide-loaded hydrogel is able to accelerate the healing of bacteria-infected wounds in mice Materials Today Chemistry 43 (2025) 102478 doi |
| Computational assessment of the binding modes of the first VHL-recruiting PROTACs designed for oncogenic KRasG12C New Journal of Chemistry (2025) doi |
| Three new alkaloids from Haplophyllum tuberculatum as competitive type of in-vitro α-glucosidase inhibitors Phytochemistry Letters 65 (2025) 94-101 doi |
| Restoring adapter protein complex 4 function with small molecules: an in silico approach to spastic paraplegia 50 Protein Science 34 (1) (2025) e70006 doi |
| Exploration of novel triazolo-thiadiazine hybrids of deferasirox as multi-target-directed anti-neuroinflammatory agents with structure–activity relationship (SAR): a new treatment opportunity for Alzheimer's disease RSC Advances 15 (1) (2025) 101-118 doi |
| 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 |
| Probing Non Peptide Agonists Binding at Human Nociceptin/Orphanin FQ Receptor: A Molecular Modelling Study RSC Medicinal Chemistry (2025) doi |
| Targeting MAO-B with Small-Molecule Inhibitors: A Decade of Advances in Anticancer Research (2012–2024) Molecules 30 (1) (2025) doi |
| Synthesis of Pyrazole-Based Inhibitors of the Bacterial Enzyme N-Succinyl-l,l-2,6-Diaminopimelic Acid Desuccinylase (DapE) as Potential Antibiotics International Journal of Molecular Sciences 26 (1) (2025) doi |
| Scaffold Hopping and De Novo Drug Design Computational Methods for Rational Drug Design (2025) 195-219 doi |
| Molecular Dynamics Insights into Peptide-Based Tetrodotoxin Delivery Nanostructures Molecules 30 (1) (2025) doi |
| Pharmacophore Modeling in Drug Design Computational Methods for Rational Drug Design (2025) 167-194 doi |
| Computer-assisted Methods and Tools for Structure- and Ligand-based Drug Design Computational Methods for Rational Drug Design (2025) 69-95 doi |