Akhil Kumar

Changing Paradigm from one Target one Ligand Towards Multi-target Directed Ligand Design for Key Drug Targets of Alzheimer Disease: An Important Role of In Silico Methods in Multi-target Directed Ligands Design

Akhil Kumar, Ashish Tiwari, Ashok Sharma · Current Neuropharmacology · 2018 · 56 citations · Full text

Drug Target, Engineering, Molecular Biology +20

Molecular docking based virtual screening of natural compounds as potential BACE1 inhibitors: 3D QSAR pharmacophore mapping and molecular dynamics analysis

Akhil Kumar, Sudeep Roy, Shubhandra Tripathi et al. · Journal of Biomolecular Structure and Dynamics · 2015 · 55 citations

Docking, molecular dynamics, binding energy-MM-PBSA studies of naphthofuran derivatives to identify potential dual inhibitors against BACE-1 and GSK-3β

Akhil Kumar, Gaurava Srivastava, Arvind Negi et al. · Journal of Biomolecular Structure and Dynamics · 2018 · 52 citations

Drug Target, Peptide Science, Chemical Biology +16

Determination of potential inhibitors based on isatin derivatives against SARS-CoV-2 main protease (m^pro): a molecular docking, molecular dynamics and structure-activity relationship studies

Vishnu Nayak Badavath, Akhil Kumar, Pralok K. Samanta et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 52 citations · Full text

Molecular insight into amyloid oligomer destabilizing mechanism of flavonoid derivative 2-(4′ benzyloxyphenyl)-3-hydroxy-chromen-4-one through docking and molecular dynamics simulations

Akhil Kumar, Swati Srivastava, Shubhandra Tripathi et al. · Journal of Biomolecular Structure and Dynamics · 2015 · 47 citations