Barreca Maria L, Balzarini Jan, Chimirri Alba, De Clercq Erik, De Luca Laura, Höltje Hans Dieter, Höltje Monika, Monforte Anna Maria, Monforte Pietro, Pannecouque Christophe, Rao Angela, Zappalà Maria
Dipartimento Farmaco-Chimico, Università di Messina, Viale Annunziata, 98168 Messina, Italy.
J Med Chem. 2002 Nov 21;45(24):5410-3. doi: 10.1021/jm020977+.
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.
从1H,3H-噻唑并[3,4-a]苯并咪唑（TBZs）出发，我们开展了一系列2,3-二芳基-1,3-噻唑烷-4-酮的设计、合成及构效关系研究。一些衍生物在纳摩尔浓度下对HIV-1复制具有高效抑制作用，且细胞毒性极小，因此可作为非核苷类HIV-1逆转录酶抑制剂（NNRTIs）。利用计算研究来描绘配体与逆转录酶的相互作用，并探究配体与HIV-1逆转录酶的结合情况。
