Multilayered screening for multi-targeted anti-Alzheimer’s and anti-Parkinson’s agents through structure-based pharmacophore modelling, MCDM, docking, molecular dynamics and DFT: a case study of HDAC4 inhibitors
Nikita Chhabra, Balaji Wamanrao Matore, Nisha Lakra, Purusottam Banjare, Anjali Murmu, Arijit Bhattacharya, Shovanlal Gayen, Jagadish Singh, Partha Pratim Roy
Topics & Concepts
PharmacophoreDocking (animal)Computational biologyMultiple-criteria decision analysisRobustness (evolution)Computer scienceChemistryBioinformaticsMedicineBiologyEngineeringBiochemistryOperations researchNursingGeneHistone Deacetylase Inhibitors ResearchCholinesterase and Neurodegenerative DiseasesComputational Drug Discovery Methods