In Silico and In Vitro Studies of Chemical Constituents from the Ethyl Acetate Extract of Scoparia dulcis L. Leaves as Antihypercholesterolemic Agent

High blood cholesterol levels (hypercholesterolemia) are a major risk factor contributing to cardiovascular disease. Efforts to explore medicinal plants continue, and S. dulcis L. is known as a herbal plant containing bioactive compounds with potential as antihypercholesterolemic agents. This study aimed to evaluate the antihypercholesterolemic activity of ethyl acetate extracts from S. dulcis L. leaves through in silico and in vitro approaches. Secondary metabolites in ethyl acetate extracts from S. dulcis L. leaves were analyzed using LC-MS instruments, followed by molecular docking analysis. Research on the antihypercholesterolemic activity of ethyl acetate extracts of S. dulcis L. leaves was conducted at different concentrations: ۱۰۰, ۲۰۰, ۳۰۰, ۴۰۰, and ۵۰۰ µg/mL. LC-MS analysis identified ۱۱۱ chemical constituents, ۸ of which were dominant. Four compounds met Lipinski’s rules of five and were tested through molecular docking, where scoparic acid C showed the strongest binding affinity (-۸.۷۸ kcal/mol) compared to simvastatin (-۷.۵۷ kcal/mol). A significant inhibitory effect of ۹۵.۱۰% was demonstrated in vitro at a dose of ۲۵۰ µg/mL. These results show that the ethyl acetate extract of S. dulcis L. leaves has promising potential as an antihypercholesterolemic agent and can be developed as a cholesterol-lowering drug.

کلیدواژه ها:

antihypercholesterolemic ، In silico ، In vitro ، Molecular docking ، Scoparia dulcis L