3D-QSAR design of novel antiepileptic sulfamides

L Gavernet, MJD Cabrera, LE Bruno-Blanch…

Index: Gavernet, Luciana; Dominguez Cabrera, M. Josefina; Bruno-Blanch, Luis E.; Estiu, Guillermina L. Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 3 p. 1556 - 1567

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Citation Number: 26

Abstract

A three-dimensional quantitative structure–activity relationship method, the comparative molecular field analysis (CoMFA), was applied to design new anticonvulsant symmetric sulfamides. The training set (27 structures) was comprised by traditional and new- generation anticonvulsant (AC) ligands that exhibit a potent activity in MES test. Physicochemical determinants of binding, such as steric and electrostatic properties, were ...