Network Pharmacology Study of Compound Danshen Dropping Pill Based on Molecular Docking and Recognition of Biological Network Function Modules
YUAN Wen-feng1,2,3, TU Ming-yang1,2,3, CHEN Chao1,2,3*, WANG Shu-mei1,2,3, LIANG Sheng-wang1,2,3*
1. School of Traditional Chinese Medicine, Guangdong Pharmaceutical University, Guangzhou 510006, China; 2. The Key Unit of Chinese Medicine Digitalization Quality Evaluation of SATCM, Guangzhou 510006, China; 3. The Research Center for Quality Engineering Technology of Traditional Chinese Medicine in Guangdong Universities, Guangzhou 510006, China
Abstract��OBJECTIVE To study material basis and mechanism of compound danshendropping pills (CDDP) in the treatment of atherosclerosis (AS) using network pharmacology techniques such as molecular docking and recognition of biological network function modules in this paper. METHODS Firstly, interactions between ingredients of CDDP and targets were determined through molecular docking technique; secondly,2-layered heterogeneous network (2-HN) was established from compounds-compounds interaction networks and targets-targets interaction networks, which were constructed by their molecular similarity and from UniHI database, respectively; finally, 2-HN was divided into different modules with various functions through module analysis. RESULTS The mechanism of CDDP for AS treatment was correlated with inflammation, immune dysfunction and oxidative stress. Pathway analysis was further employed, and showed that main components of CDDP are danshensu, protocatechuic aldehyde, tanshinone ��, etc. CONCLUSION The present study provides a reference for similar studies such as exploration of multi-component, multi-target,multi-pathway mechanism of traditional Chinese medicine.
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YUAN Wen-feng, TU Ming-yang, CHEN Chao, WANG Shu-mei, LIANG Sheng-wang. Network Pharmacology Study of Compound Danshen Dropping Pill Based on Molecular Docking and Recognition of Biological Network Function Modules. Chinese Pharmaceutical Journal, 2017, 52(9): 743-749.
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2017, Vol. 52 
