Screening of Phytocompounds for Identification of Prospective Histone Deacetylase 1 (HDAC1) Inhibitor: An In Silico Molecular Docking, Molecular Dynamics Simulation, and MM-GBSA Approach
Kaushik Kumar Bharadwaj, Iqrar Ahmad, Siddhartha Pati, Arabinda Ghosh, Bijuli Rabha, Tanmay Sarkar, Dorothy Bhattacharjya, Harun Patel, Debabrat Baishya
Topics & Concepts
In silicoMolecular dynamicsChemistryEpigeneticsHistone deacetylase inhibitorMolecular mechanicsHistone deacetylaseDocking (animal)Cancer researchBiochemistryBiologyHistoneGeneMedicineComputational chemistryNursingHistone Deacetylase Inhibitors ResearchComputational Drug Discovery MethodsCholinesterase and Neurodegenerative Diseases