Study on the mechanism of treatment of ectopic pregnancy Ⅰ prescription based on network pharmacology
QIU Jiahan1 YUAN Shuo1 ZHANG Jiaqi2 KUANG Zijun2
1.Department of Gynaecology, the First Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangdong Province, Guangzhou 510405, China; 2.First School of Clinical Medicine, Guangzhou University of Chinese Medicine, Guangdong Province, Guangzhou 510405, China
Abstract：Objective To study the effect of ectopic pregnancy Ⅰ prescription on the treatment target of ectopic pregnancy by network pharmacology. Methods Based on the traditional Chinese medicine systems pharmacology database and analysis platform, as well as the known effective active ingredients of ectopic pregnancy Ⅰ prescription in relevant literatures from January 2015 to January 2020 on CNKI, VIP and Wanfang websites, the active ingredients of the prescription were finally screened out. After obtaining all the traditional Chinese medicine ingredients, oral bioavailability and drug-likeness were taken as the screening conditions to obtain the effective gene targets of the above active ingredients through the Uniprot website. Finally, an “active ingredient-target” network was established with the help of Cytoscape 3.8.0. Disgenet database and GeneCards database were used to retrieve disease targets of ectopic pregnancy. The ectopic pregnancy Ⅰ prescription was intersected with the disease target. Proteinprotein interaction (PPI) networks were constructed and mapped using the Bisogenet plugin in Cytoscape 3.8.0 software. Top three degree value of the target proteins and effective components of the drug in the RSCB PDB database, Autodock Tolls software and Pymol software were used to make molecular docking operation. At the same time, the DAVID database was used for GO classification enrichment analysis and KEGG pathway enrichment analysis of key targets in PPI network diagram. Results A total of 159 effective targets for ectopic pregnancy Ⅰ prescription and 1362 disease targets for ectopic pregnancy were screened out. After the intersection of the two, 65 targets for ectopic pregnancy treatment were obtained. Based on molecular docking of the top 3 proteins and active components in the PPI network with degree values, it was concluded that the core component of ectopic pregnancy Ⅰ prescription had good binding activity with the target of ectopic pregnancy. GO enrichment analysis results showed that among the 220 related target genes, 207 core target genes were involved in enrichment, and a total of 518 enrichment results were obtained, including 174 molecular functions, 126 cell components, and 218 biological processes. KEGG analysis showed that there were 220 related target genes, among which 181 core target genes were involved in 111 signaling pathways. Molecular docking and enrichment analysis showed that ectopic pregnancy Ⅰ prescription was effective in the treatment of ectopic pregnancy mainly by acting on NTRK1 and other proteins through signaling pathways such as tumor signaling pathway. Conclusion The ectopic pregnancy Ⅰ prescription can act on multiple targets of ectopic pregnancy and participate in the regulation of multiple signaling pathways, which can provide a new direction for the study of its pharmacological mechanism.
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