a system-level investigation into the mechanisms of chinese traditional medicine compound danshen formula for cardiovascular disease treatment机制的系统级调查中药复方丹参配方为心血管疾病的治疗.pdfVIP

A System-Level Investigation into the Mechanisms of Chinese Traditional Medicine: Compound Danshen Formula for Cardiovascular Disease Treatment 1 1 1 1 1 2 2 2 Xiuxiu Li , Xue Xu , Jinan Wang , Hua Yu , Xia Wang , Hongjun Yang , Haiyu Xu , Shihuan Tang , 3 4 2 1 4 Yan Li , Ling Yang , Luqi Huang *, Yonghua Wang *, Shengli Yang 1 Bioinformatics Center, College of Life Sciences, Northwest AF University, Yangling, Shaanxi, China, 2 Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing, China, 3 School of Chemical Engineering, Dalian University of Technology, Dalian, Liaoning, China, 4 Lab of Pharmaceutical Resource Discovery, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning, China Abstract Compound Danshen Formula (CDF) is a widely used Traditional Chinese Medicine (TCM) which has been extensively applied in clinical treatment of cardiovascular diseases (CVDs). However, the underlying mechanism of clinical administrating CDF on CVDs is not clear. In this study, the pharmacological effect of CDF on CVDs was analyzed at a systemic point of view. A systems-pharmacological model based on chemical, chemogenomics and pharmacological data is developed via network reconstruction approach. By using this model, we performed a high-throughput in silico screen and obtained a group of compounds from CDF which possess desirable pharmacodynamical and pharmacological characteristics. These compounds and the corresponding protein targets are further used to search against biological databases, such as the compound-target associations, compound-pathway connections and disease-target interac