Identification of metabolites from the gut microbiota in hypertension via network pharmacology and molecular docking.

ABSTRACT: Hypertension is the most prevalent cardiovascular disease, affecting one-third of adults. All antihypertensive drugs have potential side effects. Gut metabolites influence hypertension. The objective of this study was to identify antihypertensive gut metabolites through network pharmacology and molecular docking techniques and to validate their antihypertensive mechanisms via in vitro experiments. A total of 10 core antihypertensive targets and 18 gut metabolites that act on hypertension were identified. Four groups of protein metabolites, namely, CXCL8-baicalein, CXCL8-baicalin, CYP1A1-urolithin A, and PTGS2-equol, which have binding energies of - 7.7, - 8.5, - 7.2, and - 8.8 kcal-mol^-1, respectively, were found to have relatively high affinities. Based on its drug-likeness pro

SUBMITTER: Zhang W 

PROVIDER: S-EPMC11493893 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature