کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1398151 1501215 2008 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
SAR and QSAR studies: Modelling of new DAPY derivatives
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
SAR and QSAR studies: Modelling of new DAPY derivatives
چکیده انگلیسی

This work describes QSAR and SAR studies on the inhibition of reverse transcriptase by 31 novel DAPY (diarylpyrimidine) derivatives using both topological and physicochemical properties and molecular modelling parameters along with indicator parameters. The application of a multiple linear regression analysis indicated that a combination of topological and physicochemical descriptors and the indicator parameters yielded a statistically significant model for the prediction of the activity, log 1/C (50% of effective concentration of DAPY derivatives for RTs). The modelling of some new potential DAPY compounds and their maximum active comformers for the inhibition of reverse transcriptase are made by quantum molecular modelling.

This work describes QSAR and SAR studies on the inhibition of reverse transcriptase by 31 novel DAPY derivatives using both topological and physicochemical properties and molecular modelling parameters along with indicator parameters. The application of a multiple linear regression analysis indicated that a combination of topological and physicochemical descriptors and the indicator parameters yielded a statistically significant model for the prediction of activity, log 1/C (50% of effective concentration of DAPY derivatives for RTs). The modelling of some new potential DAPY compound and their maximum active conformation for the inhibition of reverse transcriptase is made by quantum molecular modelling.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: European Journal of Medicinal Chemistry - Volume 43, Issue 3, March 2008, Pages 471–477
نویسندگان
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