0000-0001-8910-1833 Employment
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Publications (8)
- Computational insights in repurposing a cardiovascular drug for Alzheimer's disease: the role of aromatic amino acids in stabilizing the drug through π–π stacking interaction Save
- Molecular mechanism behind the cholinium-taurate ionic liquid in stabilisation of HDAC2 for alcohol use disorders: insights from DFT and MD simulations Save
- Dual Anti-Inflammatory and Anticancer Activity of Novel 1,5-Diaryl Pyrazole Derivatives: Molecular Modeling, Synthesis, In Vitro Activity, and Dynamics Study Save
- Exploration of novel hydroxamate zinc binding group inhibitors against HDAC-1-3 enzymes by AI-based virtual screening: atomistic insights from steered molecular dynamics Save
- Identification of indole-based natural compounds as inhibitors of PARP-1 against triple-negative breast cancer: a computational study Save
- Discovery of novel HDAC8 inhibitors from natural compounds by in silico high throughput screening Save
- Effect of mixtures of ionic liquids and water on the structure and stability of the insulin dimer: a combined DFT and MD simulation study Save
- Antiviral activities of natural compounds and ionic liquids to inhibit the Mpro of SARS-CoV-2: a computational approach Save