Computer-aided drug design applied to a series of pyridinyl imidazole derivatives targeting p38α MAP kinase: 2D-QSAR, docking, MD simulation, and ADMET investigations

Abstract

The p38 mitogen-activated protein kinase (MAPK) is a crucial target for chronic inflammation. Here, 2D-QSAR and molecular docking studies were done on a new series of pyridinylimidazole derivatives as p38α...