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Title: Docking studies on a new human immunodeficiency virus integrase-Mg-DNA complex: phenyl ring exploration and synthesis of 1H-benzylindole derivatives through fluorine substitutions
Authors: Ferro, Stefania
De Luca, Laura
Barreca, Maria Letizia
Iraci, Nunzio
De Grazia, Sara
Christ, Frauke
Witvrouw, Myriam
Debyser, Zeger
Chimirri, Alba # ×
Issue Date: Jan-2009
Publisher: ACS Publications
Series Title: Journal of Medicinal Chemistry vol:52 issue:2 pages:569-573
Abstract: A new model of HIV-1 integrase-Mg-DNA complex that is useful for docking experiments has been built. It was used to study the binding mode of integrase strand transfer inhibitor 1 (CHI-1043) and other fluorine analogues. Molecular modeling results prompted us to synthesize the designed derivatives which showed potent enzymatic inhibition at nanomolar concentration, high antiviral activity, and low toxicity. Microwave assisted organic synthesis (MAOS) was employed in several steps of the synthetic pathway, thus reducing reaction times and improving yields.
ISSN: 0022-2623
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Molecular Virology and Gene Therapy
× corresponding author
# (joint) last author

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