کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7803180 | 1645397 | 2011 | 10 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
An application of two MIFs-based tools (Volsurf+ and Pentacle) to binary QSAR: The case of a palinurin-related data set of non-ATP competitive Glycogen Synthase Kinase 3β (GSK-3β) inhibitors
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
⺠MIFs based descriptors can be applied to binary-QSAR to develop pharmakodinamic models. ⺠Binary activity does not require the use of GRIND but the simplest Volsurf+ method is sufficient to extract the most relevant information from the dataset. ⺠The combination of an accurate selection of descriptors and a suitable strategy in the developing and validation of the model permits to obtain reliable information. ⺠A binary-QSAR model of non-ATP competitive GSK-3β for inhibitors, an emergent target in AD therapy, was obtained.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: European Journal of Medicinal Chemistry - Volume 46, Issue 3, March 2011, Pages 860-869
Journal: European Journal of Medicinal Chemistry - Volume 46, Issue 3, March 2011, Pages 860-869
نویسندگان
Giuseppe Ermondi, Giulia Caron, Isela Garcia Pintos, Michela Gerbaldo, Manuel Pérez, Daniel I. Pérez, Zoila Gándara, Ana MartÃnez, Generosa Gómez, Yagamare Fall,