Bioactive fungal metabolites as SIRT2 antagonists: A computational quest for cancer treatment.

ABSTRACT: SIRT2, a member of the sirtuin protein family, plays a pivotal role in regulating tumor progression by modulating key metabolic pathways and signaling proteins. The regulatory role of this protein has been documented across a variety of cancers. Emphasizing its role in cancer biology, this study employed computer aided drug design (CADD) approach, including molecular docking, dynamics and pharmacoinformatics, to screen fungal metabolites as potential anticancer agents. Subsequent assessments of pharmacokinetics and toxicity revealed that all tested fungal metabolites possessed oral bioavailability, drug-like characteristics, and favorable ADMET profiles. The metabolites also exhibited no hepatotoxicity, carcinogenicity, or mutagenicity, highlighting their significant therapeutic potential

SUBMITTER: Masum MHU 

PROVIDER: S-EPMC12721511 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature