Bioactive Constituents and Antihypertensive Mechanisms of Zhengan Xifeng Decoction: Insights from Plasma UPLC-MS, Network Pharmacology and Molecular Dynamics Simulations.

ABSTRACT: Background/Objectives: Hypertension is a global health challenge. Zhengan Xifeng Decoction (ZXD), a classical traditional Chinese medicine, has shown clinical efficacy against hypertension. This study aimed to identify the bioactive constituents of ZXD and elucidate its antihypertensive mechanisms by integrating plasma UPLC-MS (ultra-performance liquid chromatography-mass spectrometry) analysis, network pharmacology, and molecular dynamics (MD) simulations. Methods: ZXD constituents and plasma-absorbed compounds were characterized by UPLC-MS. Putative targets (TCMSP, SwissTargetPrediction) were cross-referenced with hypertension targets (GeneCards, OMIM) and analyzed in a STRING protein-protein interaction network (Cytoscape) to define hub targets, followed by GO/KEGG enrichm

SUBMITTER: Wang Y 

PROVIDER: S-EPMC12567505 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature