کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
4909535 1362624 2016 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Quantitative structure-activity relationship based modeling of substituted indole Schiff bases as inhibitor of COX-2
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی مهندسی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
Quantitative structure-activity relationship based modeling of substituted indole Schiff bases as inhibitor of COX-2
چکیده انگلیسی
We have performed the quantitative structure activity relationship (QSAR) study for N-1 and C-3 substituted indole shiff bases to understand the structural features that influence the inhibitory activity toward the cyclooxygenase-2 (COX-2) enzyme. The calculated QSAR results revealed that the drug activity could be modeled by using molecular connectivity indices (0χ, 1χ, 2χ), wiener index (W) and mean wiener index (WA) parameters. The predictive ability of models was cross validated by evaluating the low residual activity, appreciable cross validated r2 values (Rcv2) and leave one out (LOO) technique.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Saudi Chemical Society - Volume 20, Supplement 1, September 2016, Pages S457-S462
نویسندگان
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