An integrated chemo-informatics and in vitro experimental approach repurposes acarbose as a post-ischemic neuro-protectant.

ABSTRACT: The increasing prevalence of ischemic stroke combined with limited therapeutic options highlights the compelling need for continued research into the development of future neuro-therapeutics. Death-Associated Protein Kinase 1 (DAPK1) and p53 protein-protein interaction serve as a signaling point for the convergence of apoptosis and necrosis in cerebral ischemia. In this study, we used an integrated chemo-informatics and in vitro experimental drug repurposing strategy to screen potential small-molecule inhibitors of DAPK1-p53 interaction from the United States of America Food and Drug Administration (FDA) approved drug database exhibiting post-ischemic neuroprotective and neuro-regenerative efficacy and mechanisms. The computational docking and molecular dynamics simulation of FDA-approved

SUBMITTER: Das J 

PROVIDER: S-EPMC8847516 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature