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QSAR based modeling on a series of α-hydroxy amides as a novel class of bradykinin B1 selective antagonists
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نویسنده
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Srivastava A. K. ,Shukla Neerja ,Pandey Avni ,Srivastava Akanchha
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منبع
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journal of saudi chemical society - 2011 - دوره : 15 - شماره : 3 - صفحه:215 -220
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چکیده
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G-protein coupled receptors like bradykinin (bk) b1 represent a potential treatment route for chronic pain and inflammation. quantitative structure activity relationship has been performed on a series of a-hydroxy amides as a novel class of bradykinin b1 selective antagonists, using different physicochemical parameters along with appropriate indicator variables. it has been found that physicochemical parameters such as connectivity indices ^3 chi, ^4 chi and ^5 chi, molecular weight, molar refractivity, density along with indicator variables are significantly correlated with activity. in this paper best results were obtained by using multiple regression analysis. different models were generated with high values of r^2 and low values of press/ssy ratio. the significant equations were statistically tested by using leave one out (loo) technique and cross validation methods.
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کلیدواژه
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QSAR; Bradykinin B1 selective antagonists; Steric and topological parameters
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آدرس
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University of Allahabad, Department of Chemistry, QSAR Research Laboratory, India, University of Allahabad, Department of Chemistry, QSAR Research Laboratory, India, University of Allahabad, Department of Chemistry, QSAR Research Laboratory, India, University of Allahabad, Department of Chemistry, QSAR Research Laboratory, India
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Authors
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