Dehydrovomifoliol Alleviates Nonalcoholic Fatty Liver Disease via the E2F1/AKT/mTOR Axis: Pharmacophore Modeling and Molecular Docking Study.

ABSTRACT:

Objective

Herbal medicine discovery is a complex and time-consuming process, while pharmacophore modeling and molecular docking methods enable simple and economic studies. The pharmacophore model provides an abstract description of essential intermolecular interactions between chemical structures, and the molecular docking technology can identify novel compounds of therapeutic interests and predict the ligand-target interaction at the molecular level. This study was based on the two methods to elucidate the mechanism of dehydrovomifoliol, an active ingredient extracted from Artemisia frigida willd, in nonalcoholic fatty liver disease (NAFLD).

Methods

Bioinformatics analysis was performed to screen target genes of dehydrovomifoliol in NAFLD treatment, which were thus i

SUBMITTER: Ma J 

PROVIDER: S-EPMC9908351 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature