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Network Pharmacology, 2017, 2(3): 82-104
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Article

Network pharmacology of medicinal attributes and functions of Chinese herbal medicines: (IV) Classification and network analysis of medicinal functions of Chinese herbal medicines

WenJun Zhang
School of Life Sciences, Sun Yat-sen University, Guangzhou 510275, China; International Academy of Ecology and Environmental Sciences, Hong Kong

Received 16 April 2017;Accepted 28 April 2017;Published 1 September 2017
IAEES

Abstract
In present study I used the data from CHM-DATA, the interactive database of 1127 Chinese herbal medicines with 78 medicinal functions (attributes). The relational network for medicinal functions of Chinese herbal medicines was constructed using my earlier data and methods. Results of network analysis showed that the network is a scale-free complex network at the significance level of alpha=0.01. It was demonstrated that Clear away heat, Detoxification, Remove lung-heat or nourish lung, Promote secretion of saliva or body, Relieve pain, Regulate or enhance energy flow (Qi), Nourish or warm spleen / stomach / Qi, and Dispel endogenous wind, are the most influential medicinal functions. Seven main modules, corresponding links and module functions were identified and three of them were (Clear away heat, Detoxification, Relieve pain, Regulate or enhance energy flow (Qi)), (Loosen the bowels, Moisten dryness, Tonify blood, Nourish essential fluid (Yin), Inhibit or break energy flow (Qi)), and (Relieve external syndrome, Induce perspiration, Relieve muscular spasm, Expose exthanthema or promote eruption). PCA of 78 medicinal functions demonstrated that the medicinal functions 1-50 accounted for 79% of the total variance. There were not absolutely significant components and medicinal functions. The 78 components from PCA were substantially 78 independent and comprehensive medicinal functions. Major medicinal functions for every component can be simply determined by their importance and contribution coefficients in the component. New medicinal definition for some the most important principal components were given. Category characteristics of medicinal functions were described. At a certain level, for example, the medicinal functions -Consolidate or warm kidney, -Whet the appetite or reinforce stomach, Cool blood, -Regulate or enhance energy flow (Qi), -Nourish or warm spleen / stomach / Qi, Clear away heat, Detoxification, and Dispel endogenous cold, are the major attributes of the principal component F1. Of which the medicinal functions with the same sign (+ or -) have the same direction of medicinal action. Results of system cluster analysis demonstrated that (Consolidate or warm kidney, Invigorate male impotence (Yang) or strengthen male essence), (Relieve constipation, Loosen the bowels), and (Clear away heat, Detoxification) were classified into a class respectively at the earliest stage. They were the most similar medicinal functions from each other. Finally, some principles for incorporation and generation of medicinal functions were discussed and Matlab codes for PCA and system cluster analysis were given.

Keywords Chinese herbal medicine;medicinal function;PCA;system cluser analysis;network analysis.



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