1.Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China; 2.College of Ethnic Medicine, Chengdu University of Traditional Chinese Medicine, Chengdu 111137, China; 3.State Key Laboratory of Generic Manufacture Technology of Chinese Traditional Medicine of Lunan Pharmaceutical Group Co., Ltd, Linyi 276006, China
Abstract：Gualouxiebaibanxia decoctionis a classic Chinese medicine prescription which was known toactivate qi for relieving qi stagnation, activate Yang and remove obstruction, expelphlegm for relaxing chest, and it mainly deals with thoracic obstruction. In this study, network pharmacologywas used to reveal the clinical application, active components and mechanism of Gualouxiebaibanxia decoction. First, we collected 780 chemical components of Gualouxiebaibanxia decoction by TSMSP database and literature mining. Then, the ADMET characteristics of components was predicted by FAF-Drugs4 database. 294 drug-like components filtered by ADMET characteristics were uploaded to BATMAN-TCM platform to predict potential drug targets. Next, we imported targets with a score greater than 20 into the DAVID database for functional enrichment of disease, tissue-specificity, Gene Ontologyand pathway. Finally, the “chemical components -target -pathway-function” network was shown by Cytoscape 3.5.1.This study found that Gualouxiebaibanxia decoction mainly acts on the heart and liver, and its main symptoms may be myocardial infarction which belongs to cardiovascular disease. The mechanism of Gualouxiebaibanxia decoctionmay be related to heart rate regulation, cardiomyocyte survival, immunity and inflammation, vascular smooth muscle contraction and lipid metabolism.This study got the potential active component of Gualouxiebaibanxia decoctionsuch as dibutyl phthalate and methyl eugenol.
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