jm020977+_si_001.pdf (369.02 kB)
Design, Synthesis, Structure−Activity Relationships, and Molecular Modeling Studies of 2,3-Diaryl-1,3-thiazolidin-4-ones as Potent Anti-HIV Agents
journal contribution
posted on 2002-10-25, 00:00 authored by 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 ZappalàStarting from 1H,3H-thiazolo[3,4-a]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.