Pharmacophore-based virtual screening, 3D QSAR, Docking, ADMET, and MD simulation studies: An in silico perspective for the identification of new potential HDAC3 inhibitors
Goverdhan Lanka, Darakhshan Begum, Suvankar Banerjee, Nilanjan Adhikari, Perumal Yogeeswari, Balaram Ghosh
Topics & Concepts
PharmacophoreVirtual screeningQuantitative structure–activity relationshipDocking (animal)HDAC3Computational biologyIn silicoHistone deacetylaseChemistryADMEStereochemistryBiologyDrugBiochemistryPharmacologyHistoneMedicineGeneNursingHistone Deacetylase Inhibitors ResearchCholinesterase and Neurodegenerative DiseasesComputational Drug Discovery Methods