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  • Title: Design, synthesis, structure-activity relationships, and molecular modeling studies of 2,3-diaryl-1,3-thiazolidin-4-ones as potent anti-HIV agents.
    Author: Barreca ML, Balzarini J, Chimirri A, De Clercq E, De Luca L, Höltje HD, Höltje M, Monforte AM, Monforte P, Pannecouque C, Rao A, Zappalà M.
    Journal: J Med Chem; 2002 Nov 21; 45(24):5410-3. PubMed ID: 12431069.
    Abstract:
    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.
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