Identification of small molecular inhibitors of SIRT3 by computational and biochemical approaches a potential target of breast cancer.

ABSTRACT: Sirtuin 3 (SIRT3) belongs to the Sirtuin protein family, which consists of NAD⁺-dependent lysine deacylase, involved in the regulation of various cellular activities. Dysregulation of SIRT3 activity has been linked to several types of cancer, including breast cancer. Because of its ability to stimulate adaptive metabolic pathways, it can aid in the survival and proliferation of breast cancer cells. Finding new chemical compounds targeted towards SIRT3 was the primary goal of the current investigation. Virtual screening of ~ 800 compounds using molecular docking techniques yielded 8 active hits with favorable binding affinities and poses. Docking studies verified that the final eight compounds formed stable contacts with the catalytic domain of SIRT3. Those compounds have good ph

SUBMITTER: Ullah A 

PROVIDER: S-EPMC11139978 | biostudies-literature | 2024 May

REPOSITORIES: biostudies-literature