Search Results - "Choubey, Sanjay K."

A mechanistic approach to explore novel HDAC1 inhibitor using pharmacophore modeling, 3D- QSAR analysis, molecular docking, density functional and molecular dynamics simulation study by Choubey, Sanjay K., Jeyaraman, Jeyakanthan

“…[Display omitted] •A predictive pharmacophore model of HDAC1 inhibitors was developed.•Screening of various compound libraries was done to identify novel and…”
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Molecular modeling, dynamics studies and density functional theory approaches to identify potential inhibitors of SIRT4 protein from Homo sapiens : a novel target for the treatment of type 2 diabetes by Choubey, Sanjay K., Prabhu, Dhamodharan, Nachiappan, Mutharasappan, Biswal, Jayshree, Jeyakanthan, Jeyaraman

“…Type 2 diabetes is one of the biggest health challenges in the world and WHO projects it to be the 7th leading cause of death in 2030. It is a chronic…”
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Molecular dynamics and quantum chemistry-based approaches to identify isoform selective HDAC2 inhibitor - a novel target to prevent Alzheimer's disease by Choubey, Sanjay K., Jeyakanthan, Jeyaraman

“…Histone deacetylase 2 (HDAC2) is an emerging target of Alzheimer's disease. Four featured pharmacophore model (ADRR) with one H-bond acceptor (A), one H-bond…”
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Identification of novel histone deacetylase 1 inhibitors by combined pharmacophore modeling, 3D-QSAR analysis, in silico screening and Density Functional Theory (DFT) approaches by Choubey, Sanjay K., Mariadasse, Richard, Rajendran, Santhosh, Jeyaraman, Jeyakanthan

“…Overexpression of HDAC1, a member of Class I histone deacetylase is reported to be implicated in breast cancer. Epigenetic alteration in carcinogenesis has…”
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