Potential synergistic and multitarget effect of herbal pair Chuanxiong Rhizome-Paeonia Albifora Pall on osteoarthritis disease: A computational pharmacology approach

Hong-zhi Ye; Chun-song Zheng; Xiao-jie Xu; Ming-xia Wu; Xian-xiang Liu

doi:10.1007/s11655-011-0853-5

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Potential synergistic and multitarget effect of herbal pair Chuanxiong Rhizome-Paeonia Albifora Pall on osteoarthritis disease: A computational pharmacology approach

Updated：2021-08-27

- Potential synergistic and multitarget effect of herbal pair Chuanxiong Rhizome-Paeonia Albifora Pall on osteoarthritis disease: A computational pharmacology approach
- Chinese Journal of Integrative Medicine Vol. 17, Issue 9, Pages: 698-703(2011)
- Affiliations：
  
  1. Fujian Academy of Integrative Medicine, Fujian University of Traditional Chinese Medicine,Fuzhou,China
  2. College of Chemistry and Molecular Engineering, Peking University,Beijing,China
  3. Fujian Key Laboratory of Integrative Medicine on Geriatrics, Fujian University of Traditional Chinese Medicine,Fuzhou,China
- Author bio：
- Funds：
  
  Supported by the National Natural Science Foundation of China (No. 81072826), CHEN Ke-ji Integrative Medicine Development Foundation (No. CKJ2010032), and Emphasis Foundation of Fujian Provincial Department of Science and Technology (No. 2010Y0029)
- DOI：10.1007/s11655-011-0853-5
  CLC：
- Published：2011，
  
  Published Online：11 September 2011，
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Ye, Hz., Zheng, Cs., Xu, Xj. et al. Potential synergistic and multitarget effect of herbal pair Chuanxiong Rhizome-Paeonia Albifora Pall on osteoarthritis disease: A computational pharmacology approach., Chin. J. Integr. Med. 17, 698 (2011). https://doi.org/10.1007/s11655-011-0853-5

Hong-zhi Ye, Chun-song Zheng, Xiao-jie Xu, et al. Potential synergistic and multitarget effect of herbal pair Chuanxiong Rhizome-Paeonia Albifora Pall on osteoarthritis disease: A computational pharmacology approach. [J]. Chinese Journal of Integrative Medicine 17(9):698-703(2011)
Ye, Hz., Zheng, Cs., Xu, Xj. et al. Potential synergistic and multitarget effect of herbal pair Chuanxiong Rhizome-Paeonia Albifora Pall on osteoarthritis disease: A computational pharmacology approach., Chin. J. Integr. Med. 17, 698 (2011). https://doi.org/10.1007/s11655-011-0853-5 DOI：

Hong-zhi Ye, Chun-song Zheng, Xiao-jie Xu, et al. Potential synergistic and multitarget effect of herbal pair Chuanxiong Rhizome-Paeonia Albifora Pall on osteoarthritis disease: A computational pharmacology approach. [J]. Chinese Journal of Integrative Medicine 17(9):698-703(2011) DOI： 10.1007/s11655-011-0853-5.

摘要

To study the polypharmacological mechanism of herbal pair Chuanxiong Rhizome-Paeonia Albifora Pall (HP CXR-PAP) on the treatment for osteoarthritis (OA). Chemical space was used to discuss the similarities and differences between the molecule sets of HP CXR-PAP and drugs. Docking protocol was used to study the interaction between HP CXR-PAP and OA target enzymes. The similarities and differences of HP CXR-PAP and drugs in target spaces were elucidated by network features. 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 CXR-PAP. The 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 multitarget. 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.

Abstract

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 CXR-PAP. The 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 multitarget. 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 Pallchemical spacevirtual screeningtarget spacecomputational pharmacologyosteoarthritis

Keywords

herbal pair Chuanxiong Rhizome-Paeonia Albifora Pallchemical spacevirtual screeningtarget spacecomputational pharmacologyosteoarthritis

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Fujian Academy of Integrative Medicine, Fujian College of Traditional Chinese Medicine

Wangjing Hospital, China Academy of Chinese Medical Sciences

Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences

Fujian University of Traditional Chinese Medicine

Tianjin University of Traditional Chinese Medicine

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