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Volume 25 Issue 6
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Article Navigation >  Journal of Pharmaceutical Practice and Service  > 2007  >  (6): 372-375

LI Yao-wu, ZHOU You-jun, ZHU Ju, ZHENG Can-hui, CHEN Jun, TANG Hui, LI Ya-nan. Study on the structural features of colchicine-site inhibitors[J]. Journal of Pharmaceutical Practice and Service, 2007, (6): 372-375.
Citation: LI Yao-wu, ZHOU You-jun, ZHU Ju, ZHENG Can-hui, CHEN Jun, TANG Hui, LI Ya-nan. Study on the structural features of colchicine-site inhibitors[J]. Journal of Pharmaceutical Practice and Service, 2007, (6): 372-375.
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Study on the structural features of colchicine-site inhibitors

  • Department of Medicinal Chemistry,Pharmacy School,Second Military Medical University,Shanghai 200433,China

  • Received Date: 2007-09-07
  • Objective :To determine the structural features of a set of diverse colchicines-site inhibitors. Methods :The features were revealed by matching the binding conformations generated from docking studies of eight inhibitors,and combined with the available SAR results. Results : The feature is represented as two hydrophobic groups（A and B） and a bridge linked between them,but A and B should be in the same side of the bridge.The volume size and the existence of hydrogen-bond acceptor of group A may have some influence on binding.Group B should be a hydrophobic planar ring,and polar functional group is advantageous.The bridge part could accept 1-4 atoms,but the Sp2 hybrid is welcome. Conclusion :this result may provide useful insights for the design of novel Colchicine-site inhibitors.
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Study on the structural features of colchicine-site inhibitors

  • Department of Medicinal Chemistry,Pharmacy School,Second Military Medical University,Shanghai 200433,China
  • Received Date: 2007-09-07

Abstract: Objective :To determine the structural features of a set of diverse colchicines-site inhibitors. Methods :The features were revealed by matching the binding conformations generated from docking studies of eight inhibitors,and combined with the available SAR results. Results : The feature is represented as two hydrophobic groups（A and B） and a bridge linked between them,but A and B should be in the same side of the bridge.The volume size and the existence of hydrogen-bond acceptor of group A may have some influence on binding.Group B should be a hydrophobic planar ring,and polar functional group is advantageous.The bridge part could accept 1-4 atoms,but the Sp2 hybrid is welcome. Conclusion :this result may provide useful insights for the design of novel Colchicine-site inhibitors.

LI Yao-wu, ZHOU You-jun, ZHU Ju, ZHENG Can-hui, CHEN Jun, TANG Hui, LI Ya-nan. Study on the structural features of colchicine-site inhibitors[J]. Journal of Pharmaceutical Practice and Service, 2007, (6): 372-375.
Citation: LI Yao-wu, ZHOU You-jun, ZHU Ju, ZHENG Can-hui, CHEN Jun, TANG Hui, LI Ya-nan. Study on the structural features of colchicine-site inhibitors[J]. Journal of Pharmaceutical Practice and Service, 2007, (6): 372-375.
shu

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