%0 Journal Article %A Barreca, Maria L. %A Balzarini, Jan %A Chimirri, Alba %A Clercq, Erik De %A Luca, Laura De %A Höltje, Hans Dieter %A Höltje, Monika %A Monforte, Anna Maria %A Monforte, Pietro %A Pannecouque, Christophe %A Rao, Angela %A Zappalà, Maria %D 2002 %T Design, Synthesis, Structure−Activity Relationships, and Molecular Modeling Studies of 2,3-Diaryl-1,3-thiazolidin-4-ones as Potent Anti-HIV Agents %U 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 %R 10.1021/jm020977+.s001 %2 https://acs.figshare.com/ndownloader/files/5771283 %K NNRTI %K nonnucleoside HIV %K Molecular Modeling Studies %K Computational studies %K nanomolar concentrations %K RT inhibitors %K TBZ %X Starting 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. %I ACS Publications