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Publications (27)
- Decoding the anti-oncogenic potential of Centella asiatica: computational identification of miRNA–gene interactions in Hepatocellular carcinoma Save
- Mechanistic exploration of dog bone-shaped tacrine analogues as telomerase inhibitors via 3D-QSAR, MD simulations, and energy landscape analysis Save
- Phytonutrients as a Defensive Barrier Against G Ectodomain Fusion in Chandipura Virus Infection Save
- Integrative network pharmacology and molecular simulation approach unveils the multi-pathway therapeutic mechanism of Curcumin, Withaferin A, and andrographolide against acute Myeloid Leukemia Save
- Structure‐Guided In Silico Design of DprE1 Inhibitors Using Pharmacophore Modeling, Molecular Dynamics Simulations, ADME, and DFT Calculations Save
- Identification of natural BACE-1 inhibitors for Alzheimer's disease treatment through Advanced receptor-based virtual screening, molecular docking, and dynamic simulations: an in-silico approach Save
- Unlocking potential topoisomerase-II inhibitors: ligand-based drug design pipeline integrating pharmacophore mapping, virtual screening, molecular docking, and ADMET profiling Save
- Uncovering hub genes and screening of natural CDK1 inhibitors for targeting in hepatocellular carcinoma Save
- Furan-Triazine clubbed Schiff base derivatives: Computational insight and empirical precision against A-549 and MDA-MB-468 Carcinoma cells Save
- Expanding the Horizon of Pteridine Chemistry: Optimized Synthesis by the Isay Reaction, and Molecular-Docking Studies Save