VM
0000-0001-9300-4147 Employment
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Publications (105)
- Identification of HIV-1 Reverse Transcriptase-Associated Ribonuclease H Inhibitors Based on 2-Hydroxy-1,4-naphthoquinone Mannich Bases Save
- Analyzing Oxygen Atom Distribution in FDA-Approved Drugs to Enhance Drug Discovery Strategies Save
- Identification of pharmacophore synergism for optimization of estrogen receptor beta binders for hormone dependent forms of breast cancer Save
- PyDescriptorC*: A Descriptor Calculation Tool for Decoding Chirality Cliffs and Revealing Hidden Patterns in Drug Discovery Save
- e-QSAR (Explainable AI-QSAR), molecular docking, and ADMET analysis of structurally diverse GSK3-beta modulators to identify concealed modulatory features vindicated by X-ray Save
- Application of in-silico drug discovery techniques to discover a novel hit for targetspecific inhibition of SARS-CoV-2 Mpro's revealed allosteric binding with MAO-B receptor: A theoretical study to find a cure for post-covid neurological disorder Save
- Correction to: Multi-Target In-Silico modeling strategies to discover novel angiotensin converting enzyme and neprilysin dual inhibitors (Scientific Reports, (2024), 14, 1, (15991), 10.1038/s41598-024-66230-7) Save
- Design, synthesis, docking studies and biological screening of 2-pyrimidinyl-2, 3-dihydro-1H-naphtho [1, 2-e][1, 3] oxazines as potent tubulin polymerization inhibitors Save
- Estrogen Receptor Alpha Binders for Hormone-Dependent Forms of Breast Cancer: e-QSAR and Molecular Docking Supported by X-ray Resolved Structures Save
- GA-XGBoost, an explainable AI technique, for analysis of thrombin inhibitory activity of diverse pool of molecules and supported by X-ray Save
- In silico study to recognize novel angiotensin-converting-enzyme-I inhibitors by 2D-QSAR and constraint-based molecular simulations Save
- Leveraging nitrogen occurrence in approved drugs to identify structural patterns Save
- Mechanistic QSAR modeling derived virtual screening, drug repurposing, ADMET and in-vitro evaluation to identify anticancer lead as lysine-specific demethylase 5a inhibitor Save
- Multi-Target In-Silico modeling strategies to discover novel angiotensin converting enzyme and neprilysin dual inhibitors Save
- Pyrazole-based N-phenyl pyrazolines: Synthesis, docking, and pharmacological evaluation Save
- QSAR modeling approaches to identify a novel ACE2 inhibitor that selectively bind with the C and N terminals of the ectodomain Save
- Synthesis, in silico studies and in vitro cytotoxicity evaluation of novel posaconazole derivative as a ALK TK inhibitor Save
- Synthesis, molecular modelling, and biological evaluation of novel quinoxaline derivatives for treating type II diabetes Save
- Theranostics: a multifaceted approach utilizing nano-biomaterials Save
- Unveiling dynamics of nitrogen content and selected nitrogen heterocycles in thrombin inhibitors: a ceteris paribus approach Save