کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1393250 | 1501195 | 2009 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
3D QSAR study of the toxicity of trichothecene mycotoxins
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
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چکیده انگلیسی
Trichothecene mycotoxins, toxic natural products of fungi from the family Hypocreaceae, are potent inhibitors of protein synthesis. The application of 3D QSAR to these toxins explored the structural basis for their biological activities. A CoMFA (Q2 = 0.619, R2 = 0.921) model was developed for a set of 15 toxins with the trichothecene nucleus; CoMFA (Q2 = 0.518, R2 = 0.855) and CoMSIA (Q2 = 0.695, R2 = 0.960) models were developed for 31 toxins with the nucleus and a macrolide ring. The results show the role of electrostatics and steric factors in the activity of the toxins and indicate that the conformation of the macrolide ring influences the toxicity of the macrolide toxins.
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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: European Journal of Medicinal Chemistry - Volume 44, Issue 11, November 2009, Pages 4485–4489
Journal: European Journal of Medicinal Chemistry - Volume 44, Issue 11, November 2009, Pages 4485–4489
نویسندگان
Wayne E. Steinmetz, Cezar B. Rodarte, Alvin Lin,