Title: Pharmacophore-based design of HIV-1 integrase strand-transfer inhibitors
Authors: Barreca, Maria Letizia ×
Ferro, Stefania
Rao, Angela
De Luca, Laura
Zappalà, Maria
Monforte, Anna-Maria
Debyser, Zeger
Witvrouw, Myriam
Chimirri, Alba #
Issue Date: Nov-2005
Series Title: Journal of Medicinal Chemistry vol:48 issue:22 pages:7084-7088
Abstract: Using a training set of diketo-like acid HIV-1 integrase (IN) strand-transfer inhibitors, a 3D pharmacophore model was derived having quantitative predictive ability in terms of activity. The best statistical hypothesis consisted of four features (one hydrophobic aromatic region, two hydrogen-bond acceptors, and one hydrogen-bond donor) with r of 0.96. The resulting pharmacophore model guided the rational design of benzylindoles as new potent IN inhibitors, whose microwave-assisted synthesis and biological evaluation are reported.
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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