Network pharmacological identification of active compounds and potential actions of Erxian decoction in alleviating menopause-related symptoms.

Abstract

BackgroundErxian decoction (EXD) is used to treat menopause-related symptoms in Chinese medicine. This study aims to identify the bioactive compounds and potential actions of EXD by network pharmacological analysis.MethodsTwo databases, the Traditional Chinese Medicine Systems Pharmacology database and TCM Database@Taiwan, were used to retrieve literature of phytochemicals of EXD. STITCH 4.0 and the Comparative Toxicogenomics Database were used to search for compound–protein and compound–gene interactions, respectively. DAVID Bioinformatics Resources 6.7 and Cytoscape 3.01 with Jepetto plugin software were used to perform a network pharmacological analysis of EXD.ResultsA total of 721 compounds were identified in EXD, of which 155 exhibited 2,656 compound–protein interactions with 1,963 associated proteins determined by STITCH4.0 database, and of which 210 had 14,893 compound–gene interactions with 8,536 associated genes determined by Comparative Toxicogenomics Database. Sixty three compounds of EXD followed the Lipinski’s Rule with OB ≥30% and DL index ≥0.18, of which 20 related to 34 significant pathway- or 12 gene- associated with menopause.ConclusionsTwenty compounds were identified by network pharmacology as potential effective ingredients of EXD for relieving menopause with acceptable oral bioavailability and druggability.Electronic supplementary materialThe online version of this article (doi:10.1186/s13020-015-0051-z) contains supplementary material, which is available to authorized users.