Key ingredients in Verbena officinalis and determination of their anti-atherosclerotic effect using a computer-aided drug design approach.

ABSTRACT: Lipid metabolism disorders may considerably contribute to the formation and development of atherosclerosis (AS). Traditional Chinese medicine has received considerable attention in recent years owing to its ability to treat lipid metabolism disorders using multiple components and targets. Verbena officinalis (VO), a Chinese herbal medicine, exhibits anti-inflammatory, analgesic, immunomodulatory, and neuroprotective effects. Evidence suggests that VO regulates lipid metabolism; however, its role in AS remains unclear. In the present study, an integrated network pharmacology approach, molecular docking, and molecular dynamics simulation (MDS) were applied to examine the mechanism of VO against AS. Analysis revealed 209 potential targets for the 11 main ingredients in VO. Further, 269

SUBMITTER: Chen Y 

PROVIDER: S-EPMC10106644 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature