Design, Synthesis, Structure−Activity Relationships, and Molecular Modeling
Studies of 2,3-Diaryl-1,3-thiazolidin-4-ones as Potent Anti-HIV Agents
Maria L. Barreca
Jan Balzarini
Alba Chimirri
Erik De Clercq
Laura De Luca
Hans Dieter Höltje
Monika Höltje
Anna Maria Monforte
Pietro Monforte
Christophe Pannecouque
Angela Rao
Maria Zappalà
10.1021/jm020977+.s001
https://acs.figshare.com/articles/journal_contribution/Design_Synthesis_Structure_Activity_Relationships_and_Molecular_Modeling_Studies_of_2_3-Diaryl-1_3-thiazolidin-4-ones_as_Potent_Anti-HIV_Agents/3681435
Starting from 1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazoles (TBZs), we performed the design, synthesis,
and the structure−activity relationship studies of a series of 2,3-diaryl-1,3-thiazolidin-4-ones.
Some derivatives proved to be highly effective in inhibiting HIV-1 replication at nanomolar
concentrations with minimal cytotoxicity, thereby acting as nonnucleoside HIV-1 RT inhibitors
(NNRTIs). Computational studies were used to delineate the ligand-RT interactions and to
probe the binding of the ligands to HIV-1 RT.
2002-10-25 00:00:00
NNRTI
nonnucleoside HIV
Molecular Modeling Studies
Computational studies
nanomolar concentrations
RT inhibitors
TBZ