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Evidence-Based Complementary and Alternative MedicineVolume 2013 2013, Article ID 203614, 7 pages

Research ArticleBeijing National Laboratory for Molecular Sciences, State Key Lab of Rare Earth Material Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China

Received 25 June 2013; Accepted 19 September 2013

Academic Editor: Francis B. Lewu

Copyright © 2013 Jiangyong Gu et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

The use of plants as natural medicines in the treatment of type II diabetes mellitus T2DM has long been of special interest. In this work, we developed a docking score-weighted prediction model based on drug-target network to evaluate the efficacy of medicinal plants for T2DM. High throughput virtual screening from chemical library of natural products was adopted to calculate the binding affinity between natural products contained in medicinal plants and 33 T2DM-related proteins. The drug-target network was constructed according to the strength of the binding affinity if the molecular docking score satisfied the threshold. By linking the medicinal plant with T2DM through drug-target network, the model can predict the efficacy of natural products and medicinal plant for T2DM. Eighteen thousand nine hundred ninety-nine natural products and 1669 medicinal plants were predicted to be potentially bioactive.





Author: Jiangyong Gu, Lirong Chen, Gu Yuan, and Xiaojie Xu

Source: https://www.hindawi.com/



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