Mechanism of Huanglian Wendan Decoction in treatment of pelvic inflammatory disease based on network pharmacology and molecular docking technology

Objective To explore the mechanism of Huanglian Wendan Decoction in the treatment of pelvic inflammatory disease using network pharmacology and molecular docking technology. Methods The main active components and targets of Huanglian Wendan Decoction were identified using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP). Relevant target genes for pelvic inflammatory disease were then obtained from the GeneCards, Online Mendelian Inheritance in Man (OMIM), and DisGeNET databases. Taking the intersection target of the two, the "traditional Chinese medicine-active ingredient-target-disease" network was identified by Cytoscape software, and the core targets were obtained by network topology analysis. R language and Metascape database were used to conduct Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis for core targets. On this basis, molecular docking technology was applied to verify the binding ability between active components and core targets. Results A total of 161 main active components and 695 targets of Huanglian Wendan Decoction for treating pelvic inflammatory disease were identified. Network and enrichment analyses suggested that quercetin, kaempferol, isorhamnetin, and formononetin were the key active components in Huanglian Wendan Decoction for treating pelvic inflammatory disease. The genes NOS3, MAPK14, F2, NOS2, and ESR1 were identified as potential core targets for the treatment of pelvic inflammatory disease. The screened targets were significantly enriched in advanced glycation end products-receptor for advanced glycation end-products (AGE-RAGE), interleukin-17 (IL-17), tumor necrosis factor (TNF) and other signaling pathways. Conclusion Huanglian Wendan Decoction mainly exerts its therapeutic effect on pelvic inflammatory disease by acting on target genes such as NOS3, MAPK14, F2, NOS2, and ESR1 through active ingredients such asquercetin, kaempferol, isorhamnetin and formononetin, and mediating signaling pathways such as AGE-RAGE, IL-17 and TNF.