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Publications (63)
- Computational Screening of Anticancer Phytochemicals From IMPPAT2.0 Database: Molecular Docking and Molecular Dynamics Evaluation Against EGFR and FGFR3 Save
- Synthesis, Spectral Analysis, Physicochemical, and Biological Potential of Unexplored Novel Indole Tethered Thiazolo[2,3‐c][1,2,4]Triazoles by DFT and Molecular Docking Insights Save
- Hydrazone-linked isatin-pyridine hybrids for EGFR inhibition: Insights from density functional and molecular docking analyses Save
- Computational Screening of Indole Metabolites Targeting EGFR Wild‐Type and Mutant Proteins Using Molecular Docking and Molecular Dynamics Simulations Save
- Synthesis, structural characterization, and antimicrobial evaluation of a novel indole-based Schiff base: DFT Insights and molecular docking studies Save
- Drug delivery potential of γ-graphyne, 6,6,12-graphyne and γ-graphdiyne for 5-Fluorouracil: insights from DFT calculations Save
- In silico insights into dual COX inhibition by fluoro‐substituted indole derivative using DFT, molecular docking, and MD simulation studies Save
- A Thermoacoustical and DFT Exploration of Physio-Chemical Properties for N, N-dimethylacetamide (DMA) with Water Save
- Identification of Potent Acetylcholinesterase Inhibitors as New Candidates for Alzheimer Disease via Virtual Screening, Molecular Docking, Dynamic Simulation, and Molecular Mechanics–Poisson–Boltzmann Surface Area Calculations Save
- DFT Study on the Electronic Properties, Spectroscopic Profile, and Biological Activity of 2-Amino-5-trifluoromethyl-1,3,4-thiadiazole with Anticancer Properties Save