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Publications (12)
- 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
- In Silico and in Vitro Evaluation of 1H-indol-3-ylmethylene)-pyridin-3-yl-amine as a Potent Inhibitor for VEGFR2, EGFR and Progesterone Receptors Save
- In silico insights into dual COX inhibition by fluoro‐substituted indole derivative using DFT, molecular docking, and MD simulation studies Save
- A Novel Pyridopyrimidine Derivative as a Potential Breast Cancer Agent: DFT, Docking, MD Simulation, and Cytotoxic Studies Save
- Drug delivery potential of γ-graphyne, 6,6,12-graphyne and γ-graphdiyne for 5-Fluorouracil: insights from DFT calculations Save
- Insights into Novel Isoniazide Encompassing triazolo[4,3-b][1,2,4]triazoles as Anti-TB, antioxidant and antidiabetic agents: A spectral analysis, DFT calculations, ADME, In vitro, and in silico molecular modeling studies Save
- Synthesis, Structural, DFT studies, Biological Effectiveness, and Molecular Docking Aspects of Multitarget Novel N-(4-Phenylthiazol-2-yl)hydrazine carboxamide Hybrids as COX inhibitors, Anti-TB, and Anti-oxidant activity Save
- Unveiling a novel thiazolo[2,3-c][1,2,4]triazole scaffolds as a dual cyclooxygenase and cholinesterase inhibitors: Spectral analysis, DFT calculations, in vitro and in silico studies Save
- A comprehensive analysis of the spectroscopic and drug-like properties of dimethyl 5-hydroxybenzene-1,3-dicarboxylate: insights from DFT and MD simulations Save