Network pharmacology-based prediction of the active ingredients and potential targets of Chinese herbal Radix Curcumae formula for application to cardiovascular disease

被引:660
作者
Tao, Weiyang [1 ,2 ]
Xu, Xue [1 ,2 ]
Wang, Xia [1 ,2 ]
Li, Bohui [1 ,2 ]
Wang, Yonghua [1 ,2 ]
Li, Yan [3 ]
Yang, Ling [4 ]
机构
[1] NW A&F Univ, Ctr Bioinformat, Yangling 712100, Shaanxi, Peoples R China
[2] NW A&F Univ, Coll Life Sci, Yangling 712100, Shaanxi, Peoples R China
[3] Dalian Univ Technol, Sch Chem Engn, Dalian 116024, Liaoning, Peoples R China
[4] Chinese Acad Sci, Dalian Inst Chem Phys, Lab Pharmaceut Resource Discovery, Dalian 116023, Liaoning, Peoples R China
基金
中国国家自然科学基金;
关键词
Radix Curcumae formula; Traditional Chinese medicine; Cardiovascular and cerebrovascular diseases; Oral bioavailability; Network pharmacology; MEDICINE; METABOLISM; RATS; PHARMACOKINETICS; BIOAVAILABILITY; HYPERTENSION; ABSORPTION; DOCKING; STEP; TCM;
D O I
10.1016/j.jep.2012.09.051
中图分类号
Q94 [植物学];
学科分类号
071001 ;
摘要
Ethnopharmacology relevance: Cardiovascular and cerebrovascular diseases (CCVD), an abnormal function of the heart, brain or blood vessels, are the biggest cause of deaths worldwide. Traditional Chinese medicine (TCM) holds a great promise for preventing such diseases in an integrative and holistic way. However, its systems-level characterization of drug-target associations is still unknown. Methods: Here, we have constructed a computational approach by combining chemical predictors based on chemical structure, chemogenomics data linking compounds with pharmacological information, and a system biology functional data analysis and network reconstruction method. Results: The pharmacological system generated 58 bioactive ingredients from the Chinese herbal Radix Curcumae formula, and predicted 32 potential targets related to the CCVD. The results indicates that Radix Curcumae share the most common targets with Fructus Gardeniae (15), while less common targets with Moschus and Borneolum (8 and 1, respectively). Further integrated network shows that Radix Curcumae represents the principal component for the prevention of CCVD, and other three medicines serve as adjuvant ones to assist the effects of the principal component, which together probably display synergistic actions. Conclusions: Our work successfully explains the mechanism of efficiency of Radix Curcumae formula for the prevention of CCVD, and meanwhile, predicts the potential targets of the Chinese medicines, which facilitates to elucidate the compatible mechanism of the complex prescription, i.e., "jun-chen-zuo-shi", and provides basis for an alternative approach to investigate novel TCM formula on the network pharmacology level. (C) 2012 Elsevier Ireland Ltd. All rights reserved.
引用
收藏
页码:1 / 10
页数:10
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共 50 条
[1]   Assay of serum allantoin in humans by gas chromatography-mass spectrometry [J].
Al-Khalaf, DVPD ;
Reaveley, JMCA .
CLINICA CHIMICA ACTA, 2002, 318 (1-2) :63-70
[2]  
[Anonymous], 1979, FORMULARIES 52 KINDS
[3]  
[Anonymous], 2003, INNER CANON EMPEROR
[4]   PROGRESS IN TRADITIONAL CHINESE MEDICINE [J].
CHAN, K .
TRENDS IN PHARMACOLOGICAL SCIENCES, 1995, 16 (06) :182-187
[5]  
Chen S. Q., 2000, CHINESE J CRITICAL C, V20, P637
[6]   TCM Made in China [J].
Cheung, Felix .
NATURE, 2011, 480 (7378) :S82-S83
[7]   The effect of Compound Danshen Dripping Pills, a Chinese herb medicine, on the pharmacokinetics and pharmacodynamics of warfarin in rats [J].
Chu, Yang ;
Zhang, Ling ;
Wang, Xiang-yang ;
Guo, Jia-hua ;
Guo, Zhi-xin ;
Ma, Xiao-hui .
JOURNAL OF ETHNOPHARMACOLOGY, 2011, 137 (03) :1457-1461
[8]   Virtual screening with AutoDock: theory and practice [J].
Cosconati, Sandro ;
Forli, Stefano ;
Perryman, Alex L. ;
Harris, Rodney ;
Goodsell, David S. ;
Olson, Arthur J. .
EXPERT OPINION ON DRUG DISCOVERY, 2010, 5 (06) :597-607
[9]   Techniques: Application of systems biology to absorption, distribution, metabolism, excretion and toxicity [J].
Ekins, S ;
Nikolsky, Y ;
Nikolskaya, T .
TRENDS IN PHARMACOLOGICAL SCIENCES, 2005, 26 (04) :202-209
[10]   Angiogenesis: from plants to blood vessels [J].
Fan, Tai-Ping ;
Yeh, Ju-Ching ;
Leung, Kar Wah ;
Yue, Patrick Y. K. ;
Wong, Ricky N. S. .
TRENDS IN PHARMACOLOGICAL SCIENCES, 2006, 27 (06) :297-309