Network Pharmacology Study of Compound Danshen Dropping Pill Based on Molecular Docking and Recognition of Biological Network Function Modules
- Author:
Wen-Feng YUAN
1
Author Information
- Publication Type:Journal Article
- Keywords: Atherosclerosis mechanism; Compound denshen dropping pills; Molecular docking; Network pharmacology
- From: Chinese Pharmaceutical Journal 2017;52(9):743-749
- CountryChina
- Language:Chinese
- 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 VI, 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.
