کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
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1393044 | 1501175 | 2011 | 7 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: The first pharmacophore model for potent G protein-coupled receptor 119 agonist The first pharmacophore model for potent G protein-coupled receptor 119 agonist](/preview/png/1393044.png)
G protein-coupled receptor 119 (GPR119) has emerged as arguably one of the most exciting targets for the treatment of type 2 diabetes mellitus in the new millennium. Pharmacophore models were developed by using Discovery Studio V2.1 with a training set of 24 GPR119 agonists. The best hypothesis consisting of five features, namely, two hydrogen bond acceptors and three hydrophobic features, has a correlation coefficient of 0.969, cost difference of 62.68, RMS of 0.653, and configuration cost of 15.24, suggesting that a highly predictive pharmacophore model was successfully obtained. The application of the model shows great success in predicting the activities of the 25 known GPR119 agonists in our test set with a correlation coefficient of 0.933.
Pharmacophore model was generated using HypoGen algorithm in DS v2.1. The well validated Hypo1 perfectly fits GPR119 agonist in trials.Figure optionsDownload as PowerPoint slideHighlights
► The first pharmacophore model for potent G protein-coupled receptor 119 agonist.
► A highly predictive pharmacophore model was successfully obtained.
► Hypo1 perfectly fits GSK-1292263 as a GPR119 agonist in trials.
► 20 compounds were selected as GPR119 agonists in virtual screening.
Journal: European Journal of Medicinal Chemistry - Volume 46, Issue 7, July 2011, Pages 2901–2907