Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry and Computational Chemistry

Abstract

3D QSAR Analysis of some (2-benzylcarbamoyl-phenoxy)-acetic acid derivatives for treatment of chronic diabetic complications

Author(s): Rajesh Nawale, Mayura Kale, Ratnamala Survase and Gajanan Sonawane

3D quantitative structure activity relationship study was performed on a series of some (2-benzylcarbamoylphenoxy)- acetic acid derivatives for treatment of chronic diabetic complications for establishing n quantitative relationship between biological activity and their physicochemical properties. Several statistical regression expressions were obtained with 3D-QSAR study using k-Nearest Neighbor (kNN) method and four statistical significant models were generated by using Sphere Exclusion method and Randon Selection Method. By kNN Sphere Exclusion Method (q2= 0.5042 , 0.6433 and pred_r2= 0.6939, 0.7115 for model 1 and 2 respectively) and kNN Randon Selection Method (q2= 0.6297, 0.7107 and pred_r2=0.8970,0.5908 for model 3,4 respectively).


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