Binary quantitative activity-activity relationship (QAAR) studies to explore selective HDAC8 inhibitors: In light of mathematical models, DFT-based calculation and molecular dynamic simulation studies
Sk. Abdul Amin, Janish Kumar, Samima Khatun, Sanjib Das, Insaf Ahmed Qureshi, Tarun Jha, Shovanlal Gayen
Topics & Concepts
HDAC8ChemistryMolecular dynamicsSelectivityComputational biologyHistone deacetylaseComputational chemistryHistoneBiochemistryGeneBiologyCatalysisHistone Deacetylase Inhibitors ResearchComputational Drug Discovery MethodsProtein Degradation and Inhibitors