Based on Data Mining and Network Pharmacology,the Drug use Rules and Mechanisms of National Famous Chinese Medicine Doctor LV Shaoguang in the Treatment of Polycystic Ovary Syndrome with Infertility were Explored
Objective:To explore the medication rules and mechanism of action of LV Shaoguang,a famous Chi-nese medicine doctor in the treatment of polycystic ovary syndrome with infertility,by combining data mining,network pharmacology and molecular docking technology.Methods:The traditional Chinese medicine prescriptions used by LV Shaoguang in the clinic for the treatment of polycystic ovary syndrome with infertility in the past year were analyzed us-ing the ancient and modern medical records cloud platform to obtain the core formula;the core formula was used to ob-tain the targets of the active ingredients of each drug using the TCMSP database and related literature,and the disease targets were obtained using the public database and the intersection genes of the two were taken.The protein-protein interaction network was constructed using the String database and the core targets were screened using the Cytoscape plug-in.The core formula was placed in the Metascape platform for GO enrichment analysis and KEGG enrichment analysis and pathway screening.The"traditional Chinese medicine-key ingredients-targets-pathways"network was constructed using Cytoscape software for analysis and key active ingredients were screened.Molecular docking predic-tion was performed on the key ingredients and targets obtained by analyzing the above results.Results:A total of 413 cases were screened(182 cases before ovulation and 231 cases after ovulation),334 prescriptions were collected,170 drugs were used,and 2 core prescriptions were obtained.The core targets of the two core prescriptions involved CAPS3,IL6,PTGS2,STAT3,TNF,TP53,VEGFA,etc.The key active ingredients included quercetin,kaempferol,β-sitosterol,etc.The KEGG pathways were enriched in signaling pathways such as tumor,PI3K-Akt pathway,AGE-RAGE path-way,HIF-1 pathway,etc.Molecular docking showed that the key components could stably bind to the key targets and the binding activity was strong.Conclusion:The medication rule of Director LV Shaoguang in treating PCOS infertility is"tonifying the kidney"throughout,and the drugs are universal in multiple periods.In the first half of menstruation,the prescription is mainly to nourish the blood,tonify the kidney and activate blood circulation,and in the second half of menstruation,the prescription is mainly to tonify the kidney and nourish the blood,and strengthen the Chong and Ren meridians.The multi-target and multi-pathway mechanism of action of Director LV Shaoguang's medication for treating PCOS infertility is preliminarily revealed,providing a basis for clinical application.
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