Title: Towards new C6-rigid S-DABO HIV-1 reverse transcriptase inhibitors: Synthesis, biological investigation and molecular modeling studies
Authors: Wu, Hai-Qiu ×
Yan, Zi-Hong
Chen, Wen-Xue
He, Qiu-Qin
Chen, Fen-Er
De Clercq, Erik
Balzarini, Jan
Daelemans, Dirk
Pannecouque, Christophe #
Issue Date: Nov-2013
Publisher: Pergamon
Series Title: Bioorganic & Medicinal Chemistry vol:21 issue:21 pages:6477-6483
Article number: S0968-0896(13)00734-7
Abstract: A series of C6-rigid S-DABO analogs characterized by a substituted benzoyl group at C6 position of the pyrimidine ring has been synthesized and biological evaluation as NNRTIs against wild-type HIV-1 strain IIIB, double RT mutant (K103N+Y181C) strain RES056 as well as HIV-2 strain ROD in MT-4 cell cultures. Most of the compounds exhibited moderate antiviral activities. Among them, compound 7q displayed the highest anti-HIV-1 activity with an EC50 value of 0.26μM and a selectivity index (SI) of 541. The preliminary structure-activity relationship (SAR) of these new S-DABOs was investigated, the target RT was confirmed and docking study was performed.
ISSN: 0968-0896
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Laboratory of Virology and Chemotherapy (Rega Institute)
× corresponding author
# (joint) last author

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