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Potential Synergistic and Multitarget Effect of Herbal Pair Chuanxiong Rhizome-Paeonia Albifora Pall on Osteoarthritis Disease:A Computational Pharmacology Approach

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Chinese Journal of Integrative Medicine 2011年第9期17卷 698-703页

作者：叶蕻芝郑春松徐筱杰吴明霞刘献祥 Fujian Academy of Integrative Medicine Fujian University of Traditional Chinese Medicine College of Chemistry and Molecular Engineering Peking University Fujian Key Laboratory of Integrative Medicine on Geriatrics Fujian University of Traditional Chinese Medicine

Objective：To study the polypharmacological mechanism of herbal pair Chuanxiong Rhizome-Paeonia Albifora Pall（HP CXR-PAP） on the treatment for osteoarthritis（OA）.Methods：Chemical space was used to discuss the similarities and differences between the molecule sets of HP CXR-PAP and *** protocol was used to study the interaction between HP CXR-PAP and OA target *** similarities and differences of HP CXR-PAP and drugs in target spaces were elucidated by network ***：The plots between the molecule sets of HP CXR-PAP and drugs in chemical space had the majority in the same region, and compounds from HP CXR-PAP covered a much larger additional region of space than drug molecules, which denoted the diverse structural properties in the molecule set of HP *** molecules in HP CXR-PAP had the properties of promiscuous drugs and combination drug,and both HP CXR-PAP ligand-target interaction network and drug ligand-target interaction network were similar in the interaction profiles and network features,which revealed the effects of multicomponent and ***：The clue of potential synergism was obtained in curing OA disease by Chinese medicine,which revealed the advantages of Chinese medicine for targeting osteoarthritis disease.

关键词： herbal pair Chuanxiong Rhizome-Paeonia Albifora Pall chemical space virtual screening target space computational pharmacology osteoarthritis

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