Exploring the mechanism of adjustment formula related to Siwu Decoction in the treatment of polycystic ovary syndrome based on network pharmacology

OBJECTIVE: Polycystic ovary syndrome (PCOS) is regarded as one of the most common endocrine-metabolic disorders among women of reproductive age, characterized by the complexity of its etiology, the interplay of multiple factors, and its polygenic nature. This paper utilizes the rigorous research methodology of traditional Chinese medicine network pharmacology to conduct an in-depth exploration of the potential mechanisms of action of modified Siwu Decoction in the treatment of PCOS. METHODS:In this study, we first identified the key components of Siwu Decoction using the TCMSP database, and subsequently conducted a meticulous screening of potential targets utilizing the SwissTargetPrediction database. Relevant targets for polycystic ovary syndrome (PCOS) were comprehensively collected from multiple authoritative databases including GeneCards, Therapeutic Target Database, OMIM, DisGeNET, and The Pharmacogenomics Knowledgebase. Subsequently, the overlapping portion of these two datasets was visually presented through a Venn diagram and imported into the String database to construct a protein-protein interaction network. Using the plugin function of Cytoscape 3.10.1 software, we conducted an in-depth analysis of this network and successfully identified ten core targets. Furthermore, we employed tools provided by the DAVID database and the Microbiotics website to perform an extensive Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis on the overlapping genes. Additionally, to validate the specific interaction mechanism between drug components and targets, we conducted molecular docking experiments using AutoDockTools 1.5.6 software.RESULTS: After analysis, we found that there are 290 common points between drug targets and disease-related targets. Further analysis using molecular docking technology revealed that the top ten crucial targets exhibit excellent intermolecular binding energy with drug active ingredients.CONCLUSION: This paper establishes a theoretical framework, elaborating on the adjustment strategies of the modified Siwu Decoction formula, which can effectively treat polycystic ovary syndrome to a certain extent.