In silico drug discovery of SIRT2 inhibitors from natural source as anticancer agents.

ABSTRACT: Sirtuin 2 (SIRT2) is a member of the sirtuin protein family, which includes lysine deacylases that are NAD⁺-dependent and organize several biological processes. Different forms of cancer have been associated with dysregulation of SIRT2 activity. Hence, identifying potent inhibitors for SIRT2 has piqued considerable attention in the drug discovery community. In the current study, the Natural Products Atlas (NPAtlas) database was mined to hunt potential SIRT2 inhibitors utilizing in silico techniques. Initially, the performance of the employed docking protocol to anticipate ligand-SIRT2 binding mode was assessed according to the accessible experimental data. Based on the predicted docking scores, the most promising NPAtlas molecules were selected and submitted to molecular dynamic

SUBMITTER: Ibrahim MAA 

PROVIDER: S-EPMC9905574 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature