title: A system-level investigation into the mechanisms of Chinese Traditional Medicine: Compound Danshen Formula for cardiovascular disease treatment.
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 interactions for reconstructing the biologically meaningful networks for a TCM formula. This study not only made a contribution to a better understanding of the mechanisms of CDF, but also proposed a strategy to develop novel TCM candidates at a network pharmacology level.
authors.affiliation: Bioinformatics Center, College of Life Sciences, Northwest A&F University, Yangling, Shaanxi, China.
authors.forename: Xiuxiu
authors.initials: X
authors.lastname: Li
authors.forename: Xue
authors.initials: X
authors.lastname: Xu
authors.forename: Jinan
authors.initials: J
authors.lastname: Wang
authors.forename: Hua
authors.initials: H
authors.lastname: Yu
authors.forename: Xia
authors.initials: X
authors.lastname: Wang
authors.forename: Hongjun
authors.initials: H
authors.lastname: Yang
authors.forename: Haiyu
authors.initials: H
authors.lastname: Xu
authors.forename: Shihuan
authors.initials: S
authors.lastname: Tang
authors.forename: Yan
authors.initials: Y
authors.lastname: Li
authors.forename: Ling
authors.initials: L
authors.lastname: Yang
authors.forename: Luqi
authors.initials: L
authors.lastname: Huang
authors.forename: Yonghua
authors.initials: Y
authors.lastname: Wang
authors.forename: Shengli
authors.initials: S
authors.lastname: Yang
mesh_terms: D000284:Administration, Oral; D001682:Biological Availability; D002318:Cardiovascular Diseases / Q000188:drug therapy* / Q000378:metabolism; D003198:Computer Simulation; D016208:Databases, Factual; D004365:Drugs, Chinese Herbal / Q000737:chemistry* / Q000494:pharmacology; D006801:Humans; D008516:Medicine, Chinese Traditional; D053858:Metabolic Networks and Pathways; D008954:Models, Biological; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation; D010597:Pharmacogenetics; D010618:Phenanthrolines / Q000737:chemistry* / Q000494:pharmacology; D027561:Salvia miltiorrhiza / Q000737:chemistry*; D015398:Signal Transduction; D049490:Systems Biology; D013816:Thermodynamics
chemical_list: D004365:Drugs, Chinese Herbal; D010618:Phenanthrolines; C028972:dan-shen root extract