0000-0003-2201-3016 Employment
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Publications (13)
- Structural exploration of thiazole urea-based Gyr B inhibitors through different computational approaches: Bayesian classification, molecular docking and free energy-inspired molecular dynamics simulation Save
- Deciphering the structural attributes of PPAR-γ and SIRT1 to identify their dual activators using a combined molecular modeling approach Save
- Insight into the structural requirements of benzenesulfonamide-based carbonic anhydrase II inhibitors by multiple validated classification-based 2D QSAR approaches Save
- First report on analysis of chemical space, scaffold diversity, critical structural features of HDAC11 inhibitors Save
- Identification of Some DPP-4 Inhibitors Using QSAR Modeling Based Drug Repurposing Approach Save
- Multilayered screening for multi-targeted anti-Alzheimer’s and anti-Parkinson’s agents through structure-based pharmacophore modelling, MCDM, docking, molecular dynamics and DFT: a case study of HDAC4 inhibitors Save
- First report on QSAR modelling for chemical penetration enhancement ratio (ER) of different FDA-approved drugs in Poloxamer 407: A next step towards better skin permeability of drugs Save
- First report on exploration of structural features of natural compounds (NPACT database) for anti-breast cancer activity (MCF-7): QSAR-based virtual screening, molecular docking, ADMET, MD simulation, and DFT studies Save
- Exploration of Fingerprints and Data Mining-based Prediction of Some Bioactive Compounds from Allium sativum as Histone Deacetylase 9 (HDAC9) Inhibitors Save
- Exploring molecular fragments for fraction unbound in human plasma of chemicals: a fragment-based cheminformatics approach Save