Network formulaology: a new strategy for modern research of traditional Chinese medicine formulae
(2.Tianjin State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, China 300193)
【Abstract】This paper briefly analyzed and discussed the current status and major scientific challenges of traditional Chinese medicine (TCM) formulaology research. To promote formulaology research, a new strategy and corresponding technology, network formulaology, were proposed to reveal the complex interaction between functional chemome and biological responses network. The research framework and directions of network formulaology were also summarized and suggested.
【Keywords】 formulaology; network pharmacology; network biology; compatibility law of TCM; functional chemome of TCM formulae; TCM modernization;
 Zhang J W, Lu Z L. Formulaology Development Tracing[J]. Chinese Journal of Information on Traditional Chinese Medicine. 2001, (03): 6 (In Chinese).
 Wang J, Wang Y Y. Complex System Theory and Traditional Chinese Medicine Formula-Syndrome Research[J]. Chinese Journal of Information on Traditional Chinese Medicine. 2001, (09): 25 (In Chinese).
 Zhang B L, Wang Y Y. Basic Research on Key Scientific Question in Formulaology—Developing Modern Chinese Medicine by Component Formulating[J]. Chinese Journal Natrual Medicine. 2005, (05): 258 (In Chinese).
Barabasi A L,Oltvai Z N.Network biology:understanding the cell's functional organization[J].Nat Rev Genet,2004,5(2):101.
Hopkins A L.Network pharmacology[J].Nat Biotechnol,2007,25(10):1110.
 Zhang Y, Chen M, Liao X F. Big Data Applications: A Survey[J]. Journal of Computer Research and Development. 2013, (S2): 216 (In Chinese).
 Xie M. Thinking on the Development in Academic Area “Pharmacology of Traditional Chinese Medicine Formulae”[J]. Journal of Bejing University of TCM. 1996, 19(2): 2 (In Chinese).
 Tang Y P, Duan J A, Ding A W, el at. Strategy for Studying the Substantial Basis of TCM Formulae[J]. World Science and Technology/Modernization of Chinese Medicine and Materia Medica. 2007, (05): 20 (In Chinese).
 Tu P F, Shi D P, Jiang Y. Strategies and approaches on exploring material basis of Chinese materia medica[J]. Chinese Traditional and Herbal Drugs. 2012, (02): 209 (In Chinese).
 Cai C Y. Core Drugs in Traditional Chinese Medicine and Analysis of Compatibility Principle[J]. Asia-Pacific Traditional Medicine. 2014, (20): 131 (In Chinese).
 Wu J R, Zhang B, Yang B, el at. Analysis of Apriori and Clustering Algorithm on Traditional Chinese Medicine Master YAN Zheng-hua's Medication Rule in Prescriptions for Insomnia[J]. Chinese Journal of Experimental Traditional Medical Formulae. 2012, (24): 1 (In Chinese).
 Yu Y H, Wang Y Y, Zhao Y J, el at. Research on Compatibility Principles of Formulae[J]. China Journal of Chinese Materia Medica. 2001, (04): 3 (In Chinese).
 Wang Y, Gao X M, Zhang B L, el at. Building methodology for discovering and developing Chinese medicine based on network biology[J]. China Journal of Chinese Materia Medica. 2011, (02): 228 (In Chinese).
Wang Y,Fan X H,Qu H B,et al.Strategies and techniques for multi-component drug design from medicinal herbs and traditional Chinese medicine[J].Curr Top Med Chem,2012,12 (12 ):1356 (In Chinese).
 Zhang B L, Wang Y Y, Shang H C. Theories and Methods Used in the Research of Modern Chinese Medicine by Drug Combination[J]. Continuing Medical Education. 2006, (19): 89 (In Chinese).
 Fan X H, Zhao X P, Jin Y C, el at. Network toxicology and its application to traditional Chinese medicine[J]. China Journal of Chinese Materia Medica. 2011, (21): 2920 (In Chinese).
 Li X, Wu L H, Fan X H, el at. Network pharmacology study on major active compounds of Fufang Danshen formula[J]. China Journal of Chinese Materia Medica. 2011, (21): 2911 (In Chinese).
 Wu L H, Gao X M, Cheng Y Y, el at. Symptom-based traditional Chinese medicine slices relationship network and its network pharmacology study[J]. China Journal of Chinese Materia Medica. 2011, (21): 2916 (In Chinese).
 Wu L H, Gao X M, Wang L L, el at. Prediction of multi-target of Aconiti Lateralis Radix Praeparata and its network pharmacology[J]. China Journal of Chinese Materia Medica. 2011, (21): 2907 (In Chinese).
Wang L L,Li Z,Zhao X P,et al.A network study of Chinese medicine Xuesaitong injection to elucidate a complex mode of action with multicompound,multitarget,and multipathway[J].Evid-based Complement Altern Med,2013,doi:10 .1155/2013/652373.
Wu L H,Wang Y,Nie J,et al.A network pharmacology approach to evaluating the efficacy of Chinese medicine using genome-wide transcriptional expression data[J].Evid-based Complement Altern Med,2013,doi:10 .1155/2013/915343.
Wu L H,Li X,Yang J H,et al.CHD@ZJU:a knowledgebase providing network-based research platform on coronary heart disease[J].Database(Oxford),2013,doi:10 .1093/database/bat047.
Yang Z Z,Yang J H,Liu W,et al.T2D@ZJU:a knowledgebase integrating heterogeneous connections associated with type 2diabetes mellitus[J].Database(Oxford),2013,doi:10 .1093/database/bat052.
Li X,Wu L H,Liu W,et al.A network pharmacology study of Chinese medicine Qishen Yiqi to reveal its underlying multi-compound,multi-target,multi-pathway mode of action[J].PLo S ONE,2014,9 (5 ):e95004.
Wang L L,Li Z,Shao Q,et al.Dissecting active ingredients of Chinese medicine by content-weighted ingredient-target network[J].Mol Biosyst,2014,10 (7 ):1905.
Wu L H,Wang Y,Li Z,et al.Identifying roles of"Jun-ChenZuo-Shi"component herbs of Qishen Yiqi formula in treating acute myocardial ischemia by network pharmacology[J].Chin Med,2014,9 :24 .
Xiao S,Hao C,Ai N,et al.Deciphering the differentiations of traditional Chinese medicine analogous formulae by parallel liquid chromatography-mass spectrometry coupled with microplate-based assays[J].Anal Methods,2014,6 (23 ):9283.
Xiao S,Luo K D,Wen X X,et al.A pre-classification strategy for identification of compounds in traditional Chinese medicine analogous formulas by high-performance liquid chromatographymass spectrometry[J].J Pharm Biomed Anal,2014,92 :82 .
Zhang Y F,Shi P Y,Yao H,et al.Metabolite profiling and pharmacokinetics of herbal compounds following oral administration of a cardiovascular multi-herb medicine(Qishen Yiqi pills)in rat[J].Curr Drug Metab,2012,13 (5 ):510 .
Wang S F,Chen L L,Leng J,et al.Fragment ion diagnostic strategies for the comprehensive identification of chemical profile of Gui-Zhi-Tang by integrating high-resolution MS,multiple-stage MS and UV information[J].J Pharm Biomed Anal,2014,98 :22 .
Wang S F,Chen P H,Jiang W,et al.Identification of the effective constituents for anti-inflammatory activity of Ju-Zhi-Jiang-Tang,an ancient traditional Chinese medicine formula[J].J Chromatogr A,2014,1348:105 .
Wang S F,Chen P H,Xu Y M,et al.Characterization of the chemical constituents in Da-Huang-Gan-Cao-Tang by liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry and liquid chromatography coupled with ion trap mass spectrometry[J].J Sep Sci,2014,37 (14 ):1748.
Xiao S,Yu R,Ai N,et al.Rapid screening natural-origin lipase inhibitors from hypolipidemic decoctions by ultrafiltration combined with liquid chromatography-mass spectrometry[J].J Pharm Biomed Anal,2015,104 :67 .
Li Z,Xiao S,Ai N,et al.Derivative multiple reaction monitoring and single herb calibration approach for multiple components quantification of traditional Chinese medicine analogous formulae[J].J Chromatogr A.2014:doi:10 .1016/j.chroma.2014.12.024 .
Cheng Y Y,Wang Y,Wang X W.A causal relationship discovery-based approach to identifying active components of herbal medicine[J].Comput Biol Chem,2006,30 (2 ):148 .
Wang Y,Yu L Y,Zhang L,et al.A novel methodology for multicomponent drug design and its application in optimizing the combination of active components from Chinese medicinal formula Shenmai[J].Chem Biol Drug Des,2010,75 (3 ):318.