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Drug-target network and polypharmacology studies of a Traditional Chinese Medicine for type II diabetes mellitus

陆饮溪添加于 2012-9-9 21:52 | 2132 次阅读 | 0 个评论

作者
Gu J, Zhang H, Chen L, Xu S, Yuan G, Xu X
摘要
Many Traditional Chinese Medicines (TCMs) are effective to relieve complicated diseases such as type II diabetes mellitus (T2DM). In this work, molecular docking and network analysis were employed to elucidate the action mechanism of a medical composition which had clinical efficacy for T2DM. We found that multiple active compounds contained in this medical composition would target multiple proteins related to T2DM and the biological network would be shifted. We predicted the key players in the medical composition and some of them have been reported in literature. Meanwhile, several compounds such as Rheidin A, Rheidin C, Sennoside C, procyanidin C1 and Dihydrobaicalin were notable although no one have reported their pharmacological activity against T2DM. The association between active compounds, target proteins and other diseases was also discussed.
详细资料
- 关键词: Databases, Factual; Diabetes Mellitus, Type 2/*drug therapy/metabolism; Drugs, Chinese Herbal/metabolism/*pharmacology/therapeutic use; Humans; Hypoglycemic Agents/metabolism/*pharmacology/therapeutic use; Ligands; *Medicine, Chinese Traditional; Models, Biological; Neural Networks (Computer); Principal Component Analysis; Protein Binding; Quantitative Structure-Activity Relationship
- 文献种类:期刊
- 期刊名称: Computational Biology and Chemistry
- 期刊缩写: Comput Biol Chem
- 期卷页: 2011年第35卷第5期 293-297页
- 地址: Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, PR China
- ISBN: 1476-9271
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