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• W2028804712 startingPage "756" @default.
• W2028804712 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), presenting the highest best-fit value on pharmacophore model, showed a potency comparable to that of clinical INSTIs GS 9137 (1) and MK-0518 (2). The binding mode of our molecules has been investigated using the recently published crystal structure of the complex of full-length integrase from the prototype foamy virus in complex with its cognate DNA (PFV-IN/DNA). The results highlighted the ability of derivative 8e to assume the same binding mode of MK-0518 and GS 9137." @default.
• W2028804712 created "2016-06-24" @default.
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• W2028804712 date "2011-02-01" @default.
• W2028804712 modified "2023-10-17" @default.
• W2028804712 title "HIV-1 integrase strand-transfer inhibitors: Design, synthesis and molecular modeling investigation" @default.
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• W2028804712 doi "https://doi.org/10.1016/j.ejmech.2010.12.012" @default.
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