HIV-1 integrase strand-transfer inhibitors: design, synthesis and molecular modeling investigation

…, S Ferro, R Gitto, F Christ, Z Debyser, A Chimirri

Index: De Luca, Laura; De Grazia, Sara; Ferro, Stefania; Gitto, Rosaria; Christ, Frauke; Debyser, Zeger; Chimirri, Alba European Journal of Medicinal Chemistry, 2011 , vol. 46, # 2 p. 756 - 764

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Citation Number: 39

Abstract

This study is focused on a new series of benzylindole derivatives with various substituents at the benzene-fused ring, suggested by our 3D pharmacophore model developed for HIV-1 integrase inhibitors (INIs). All synthesized compounds proved to be active in the nanomolar range (6–35 nM) on the strand-transfer step (ST). In particular, derivative 4-[1-(4- fluorobenzyl)-5, 7-dimethoxy-1H-indol-3-yl]-2-hydroxy-4-oxobut-2-enoic acid (8e), ...