Quantitative structural assessments of potential meprin β inhibitors by non-linear QSAR approaches and validation by binding mode of interaction analysis
Suvankar Banerjee, Sandip Kumar Baidya, Balaram Ghosh, Suvendu Nandi, Mahitosh Mandal, Tarun Jha, Nilanjan Adhikari
Abstract
Identification of key structural features of meprin β inhibitors by ML models and binding mode of interaction analysis.
Topics & Concepts
ChemistryQuantitative structure–activity relationshipMode (computer interface)Computational chemistryComputational biologyStereochemistryComputer scienceOperating systemBiologyCell Adhesion Molecules ResearchRNA and protein synthesis mechanismsinterferon and immune responses