Discussion on the mechanism and molecular docking of yanhusuo-chishao in treating pelvic inflammation based on network pharmacology
Objective:To analyze the potential targets and transcription factors of Chishao-Yanhusuo in the treatment of pelvic inflammation according to the network pharmacological prediction.Methods:Active ingredient target with dissolution(OB)greater than or equal to 30%and drug analogues(DL)great than or equal to 0.18 were screened by TCMSP platform.The targets of pelvic inflammatory disease were searched by OMIM,GeneCards databases,to obtain the common target gene of pelvic inflammatory disease and effective constituent in chishao-yanhusuo.A data visualization network structure diagram of"drugs-active ingredients-target-disease"was created through cytoscape 3.7.1.Moreover,the enrichment analysis of GO and KEGG channels was carried out.Results:70 potential active components,219 compound targets and 3954 pelvic inflammatory disease related target genes were screened.After the intersection of the two,100 common targets of disease-class active components were obtained;140 signal pathways were obtained by KEGG enrichment analysis and path analysis.Then molecular docking was carried out on the active ingredients with more target sites.Molecular docking results show that beta-sitosterol、Stigmasterol and leonticine have strong affinity ability with PTGS2、PTGS1 and RXRA.Conclusion:Chishao-Yanhusuo may be play the role of multi component-multi target-multi pathway to treat pelvic inflammatory disease by PTGS2,PTGS1,RXRA,OPRM key target.
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