Kailash Jangid

Flavonoids as promising anticancer agents: an<i>in silico</i>investigation of ADMET, binding affinity by molecular docking and molecular dynamics simulations

Avadh Biharee, Arpita Yadav, Kailash Jangid et al. · Journal of Biomolecular Structure and Dynamics · 2022 · 26 citations

Identification of coumarin derivatives targeting acetylcholinesterase for Alzheimer's disease by field-based 3D-QSAR, pharmacophore model-based virtual screening, molecular docking, MM/GBSA, ADME and MD Simulation study

Bikram Saha, Agnidipta Das, Kailash Jangid et al. · Current Research in Structural Biology · 2024 · 25 citations · Full text

Drug Target, Neurochemical Biomarkers, Pharmacotherapy +18

Identification of 1,3,4-oxadiazoles as tubulin-targeted anticancer agents: a combined field-based 3D-QSAR, pharmacophore model-based virtual screening, molecular docking, molecular dynamics simulation, and density functional theory calculation approach

Agnidipta Das, Manaswini Sarangi, Kailash Jangid et al. · Journal of Biomolecular Structure and Dynamics · 2023 · 20 citations

Medicinal Chemistry, Drug Target, Drug Targeting +15

Virtual screening and molecular dynamics simulation approach for the identification of potential multi-target directed ligands for the treatment of Alzheimer’s disease

Kailash Jangid, Bharti Devi, Ashrulochan Sahoo et al. · Journal of Biomolecular Structure and Dynamics · 2023 · 19 citations

Flavonoids as P-glycoprotein inhibitors for multidrug resistance in cancer: an <i>in-silico</i> approach

Amit Kumar, Sourav Kalra, Kailash Jangid et al. · Journal of Biomolecular Structure and Dynamics · 2022 · 17 citations

Chemoprevention Strategy, Multidrug Resistance, Pharmacotherapy +18