INSIGHT INTO THE STRUCTURAL REQUIREMENTS OF SULFONYL DERIVATIVES BASED ON TWO AND THREE-DIMENSIONAL DESCRIPTORS: QSAR STUDIES

Abstract

The present work provides the rationale to the changes in the structure to have more potent analogs sulfonyl derivatives were reported to possess potent activity for the angiotensin AT1 receptor. We report here 2D QSAR and k-nearest neighbor molecular field analysis based model for sulfonylureas compounds as AT1 receptor. The here k-nearest neighbor contour plots provided further understanding of the relationship between structural features of substituted sulfonyl derivatives and their activities which should be applicable to design newer potential AT1 receptor.