title: Drug-target network and polypharmacology studies of a Traditional Chinese Medicine for type II diabetes mellitus.
abstract: 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.
authors: Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, PR China.
authors: Jiangyong
authors: J
authors: Gu
authors: Hu
authors: H
authors: Zhang
authors: Lirong
authors: L
authors: Chen
authors: Shun
authors: S
authors: Xu
authors: Gu
authors: G
authors: Yuan
authors: Xiaojie
authors: X
authors: Xu
mesh_terms: D016208:Databases, Factual; D003924:Diabetes Mellitus, Type 2 / Q000188:drug therapy* / Q000378:metabolism; D004365:Drugs, Chinese Herbal / Q000378:metabolism / Q000494:pharmacology* / Q000627:therapeutic use; D006801:Humans; D007004:Hypoglycemic Agents / Q000378:metabolism / Q000494:pharmacology* / Q000627:therapeutic use; D008024:Ligands; D008516:Medicine, Chinese Traditional; D008954:Models, Biological; D016571:Neural Networks, Computer; D025341:Principal Component Analysis; D011485:Protein Binding; D021281:Quantitative Structure-Activity Relationship
chemical_list: D004365:Drugs, Chinese Herbal; D007004:Hypoglycemic Agents; D008024:Ligands