XU Kun, ZHANG Jiefan, WANG Yongyu, et al. Molecular Mechanism of Anti-Inflammatory Effects of Ruyi Jinhuang Powder Based on Network Pharmacology and Molecular Docking Technology[J]. 2022,(11):1281-1286.
XU Kun, ZHANG Jiefan, WANG Yongyu, et al. Molecular Mechanism of Anti-Inflammatory Effects of Ruyi Jinhuang Powder Based on Network Pharmacology and Molecular Docking Technology[J]. 2022,(11):1281-1286. DOI: 10.14009/j.issn.1672-2124.2022.11.001.
OBJECTIVE: To probe into the molecular mechanism of anti-inflammatory effects of Ruyi Jinhuang powder based on network pharmacology and data mining. METHODS: The inflammatory targets were obtained from GeneCards database
the active components and relative targets of Ruyi Jinhuang powder were obtained from BATMAN-TCM database. After the intersection of disease target and drug target
the regulation network and protein-protein interaction(PPI) network were constructed. R software was used for gene ontology(GO) functional enrichment analysis and Kyoto encyclopedia of genes and genomes(KEGG) pathway enrichment analysis
AutoDock Vina was used for molecular docking to verify the reliability of the results. RESULTS: A total of 217 active components and 159 intersection genes of inflammation-Ruyi Jinhuang powder were obtained after screening. Totally 2 051 GO items and 149 signal pathways were obtained through GO and KEGG enrichment analysis. Ruyi Jinhuang powder might act on insulin
protein kinase B1
albumin
mitogen-activated protein kinase 1 and tumor necrosis factor(TNF) through a variety of ketone active components such as carvone
progesterone and curcumin
which were involved in the atherosclerosis signaling pathway
estrogen signaling pathway and TNF signaling pathway
thereby exerting anti-inflammatory effects. The molecular docking results showed that the results of the network pharmacology study had certain reliability. CONCLUSIONS: This study preliminarily reveals the molecular mechanism of anti-inflammatory effects of Ruyi Jinhuang powder
and provides a new theoretical basis for further basic and clinical research
关键词
网络药理学分子对接如意金黄散中医外科分子机制炎症
Keywords
Network pharmacologyMolecular dockingRuyi Jinhuang powderSurgery of traditional Chinese medicineMolecular mechanismInflammation