Identification of HMGCR as the anticancer target of physapubenolide against melanoma cells by in silico target prediction.

ABSTRACT: Physapubenolide (PB), a withanolide-type compound extracted from the traditional herb Physalis minima L., has been demonstrated to exert remarkable cytotoxicity against cancer cells; however, its molecular mechanisms are still unclear. In this study, we demonstrated that PB inhibited cell proliferation and migration in melanoma cells by inducing cell apoptosis. The anticancer activity of PB was further verified in a melanoma xenograft model. To explore the mechanism underlying the anticancer effects of PB, we carried out an in silico target prediction study, which combined three approaches (chemical similarity searching, quantitative structure-activity relationship (QSAR), and molecular docking) to identify the targets of PB, and found that PB likely targets 3-hydroxy-methylglutaryl CoA re

SUBMITTER: Wang HY 

PROVIDER: S-EPMC9160031 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature