0000-0002-8978-5427 Employment
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Publications (39)
- In-silico investigation of phytochemicals of Aegle marmelos (L.) Corrêa as anti-skin aging agents against matrix metalloproteinases (MMP-1, MMP-3, and MMP-9) using network pharmacology, molecular docking, and molecular dynamics simulation Save
- Genomic profiling and molecular dynamics analysis of parDE Pa toxin-antitoxin homologs targeting DNA gyrase in Pseudomonas aeruginosa : insights from computational investigations Save
- Predictive insights into plant-based compounds as fibroblast growth factor receptor 1 inhibitors: a combined molecular docking and dynamics simulation study Save
- Computational exploration of the genomic assignments, molecular structure, and dynamics of the ccdAB Xn 2 toxin-antitoxin homolog with its bacterial target, the DNA gyrase, in the entomopathogen Xenorhabdus nematophila Save
- Identification of novel fructose 1,6-bisphosphate aldolase inhibitors against tuberculosis: QSAR, molecular docking, and molecular dynamics simulation-based analysis of DrugBank compounds Save
- Hematopoietic cell kinase as a nexus for drug repurposing: implications for cancer and HIV therapy Save
- Screening of potential inhibitors of Leishmania major N-myristoyltransferase from Azadirachta indica phytochemicals for leishmaniasis drug discovery by molecular docking, molecular dynamics simulation and density functional theory methods Save
- Potent multi-target natural inhibitors against SARS-CoV-2 from medicinal plants of the Himalaya: a discovery from hybrid machine learning, chemoinformatics, and simulation assisted screening Save
- Identification of alpha-glucosidase enzyme inhibitors from phytochemicals via integrated deep learning, molecular docking, molecular dynamics simulation, and MMPBSA analysis Save
- In silico screening of chalcone derivatives as promising EGFR-TK inhibitors for the clinical treatment of cancer Save