An Integrated Strategy for Decoding Bioactive Components and Mechanism of Jingtong Granules: Chemical Characterization, Network Analysis, Pharmacokinetic and Pharmacodynamic Studies.

Abstract

This study aimed to identify bioactive constituents of Jingtong Granules (JTG), a traditional Chinese medicine for cervical spondylotic radiculopathy (CSR), characterize their in vivo exposure, and explore pharmacological targets and pathways. Chemical constituents were characterized by LC-MS with GNPS-based molecular networking, and key compounds were prioritized via molecular docking; pharmacokinetic analysis was characterized in vivo exposure, and anti-inflammatory activity was evaluated via NO production in LPS-stimulated BV2 cells. Network pharmacology with GO and KEGG enrichment identified potential targets and pathways. Seventy-three components were identified in vitro and 10 in vivo. Albiflorin, puerarin, and ginsenoside Rg1 were rapidly absorbed and reduced NO production dose-dependently. Network analysis suggested MMP9 and PTGS2 as key targets, involving TNF and PI3K-AKT signaling pathways. JTG and its exposed constituents exert anti-inflammatory effects by modulating inflammatory targets and pathways. Albiflorin, puerarin, and ginsenoside Rg1 are prioritized as candidate bioactive constituents; MMP9, PTGS2, TNF, and PI3K-AKT pathways are putative mechanistic nodes requiring further validation.