Chemical space and multitarget effects analyses in treating osteoarthritis of Haitongpi tang

Chinese Journal of Clinical Pharmacology and Therapeutics ›› 2009, Vol. 14 ›› Issue (1): 67-71.

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Chemical space and multitarget effects analyses in treating osteoarthritis of Haitongpi tang

ZHENG Chun-song^1,2, YE Hong-zhi^1,2, LIU Xian-xiang¹, XU Xiao-jie³

¹Fujian Academy of Integrative Medicine, FUTCM, Fuzhou 350108, Fujian, China;
²StateKey Laboratory of Basics of Integrative Medicine, Fujian Province University, Fuzhou 350108, Fujian, China;
³College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China

Received:2008-10-08 Revised:2008-11-10 Online:2009-01-26 Published:2020-10-27

Abstract

Abstract: AIM: To study the multitarget effects of Chinese medicine Haitongpi tang on treating osteoarthritis from the view of chemical space.METHODS: Computation methods were performed to analyze chemical space of effective components of Haitongpi tang and drug drug-like databases.Some descriptor distributions were described and principal component analysis(PCA) were performed to map these multiple descriptor values into a 2D ppace.RESULTS: The effective components of Haitongpi tang had good diversity,which had druglike properties and composited a special subset of natural product compounds.CONCLUSION: The methods reveal directly the multitarget effects of Haitongpi tang on treating osteoarthritis,which is of great importance to find clues of potential synergism in Chinese medicine.

Key words: Haitongpi tang, diversity, chemical space, molecuar descripor, synergism

CLC Number:

R962

ZHENG Chun-song, YE Hong-zhi, LIU Xian-xiang, XU Xiao-jie. Chemical space and multitarget effects analyses in treating osteoarthritis of Haitongpi tang[J]. Chinese Journal of Clinical Pharmacology and Therapeutics, 2009, 14(1): 67-71.

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Chemical space and multitarget effects analyses in treating osteoarthritis of Haitongpi tang

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