Sanjay Kumar Choubey

Molecular modeling, dynamics studies and density functional theory approaches to identify potential inhibitors of SIRT4 protein from<i>Homo sapiens</i>: a novel target for the treatment of type 2 diabetes

Sanjay Kumar Choubey, Dhamodharan Prabhu, Mutharasappan Nachiappan et al. · Journal of Biomolecular Structure and Dynamics · 2016 · 48 citations

A mechanistic approach to explore novel HDAC1 inhibitor using pharmacophore modeling, 3D- QSAR analysis, molecular docking, density functional and molecular dynamics simulation study

Sanjay Kumar Choubey, Jeyaraman Jeyakanthan · Journal of Molecular Graphics and Modelling · 2016 · 41 citations

Medicinal Chemistry, Drug Target, Engineering +10

Mechanical insights of oxythiamine compound as potent inhibitor for human transketolase-like protein 1 (TKTL1 protein)

Richard Mariadasse, Jayashree Biswal, Prajisha Jayaprakash et al. · Journal of Receptors and Signal Transduction · 2015 · 21 citations

Identification of novel histone deacetylase 1 inhibitors by combined pharmacophore modeling, 3D-QSAR analysis, in silico screening and Density Functional Theory (DFT) approaches

Sanjay Kumar Choubey, Richard Mariadasse, Santhosh Rajendran et al. · Journal of Molecular Structure · 2016 · 21 citations

Medicinal Chemistry, Drug Target, Biochemistry +11

Insights into Exogenous Tryptophan-Mediated Allosteric Communication and Helical Transition of TRP Protein for Transcription Regulation

Richard Mariadasse, Sanjay Kumar Choubey, Jeyaraman Jeyakanthan · Journal of Chemical Information and Modeling · 2019 · 17 citations