title: Design, synthesis, structure-activity relationships, and molecular modeling studies of 2,3-diaryl-1,3-thiazolidin-4-ones as potent anti-HIV agents.
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.
authors.affiliation: Dipartimento Farmaco-Chimico, Università di Messina, Viale Annunziata, 98168 Messina, Italy.
authors.forename: Maria L
authors.initials: ML
authors.lastname: Barreca
authors.forename: Jan
authors.initials: J
authors.lastname: Balzarini
authors.forename: Alba
authors.initials: A
authors.lastname: Chimirri
authors.forename: Erik
authors.initials: E
authors.lastname: De Clercq
authors.forename: Laura
authors.initials: L
authors.lastname: De Luca
authors.forename: Hans Dieter
authors.initials: HD
authors.lastname: Höltje
authors.forename: Monika
authors.initials: M
authors.lastname: Höltje
authors.forename: Anna Maria
authors.initials: AM
authors.lastname: Monforte
authors.forename: Pietro
authors.initials: P
authors.lastname: Monforte
authors.forename: Christophe
authors.initials: C
authors.lastname: Pannecouque
authors.forename: Angela
authors.initials: A
authors.lastname: Rao
authors.forename: Maria
authors.initials: M
authors.lastname: Zappalà
mesh_terms: D019380:Anti-HIV Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D002460:Cell Line; D015195:Drug Design; D054303:HIV Reverse Transcriptase / Q000037:antagonists & inhibitors / Q000737:chemistry; D015497:HIV-1 / Q000187:drug effects; D006801:Humans; D008024:Ligands; D008958:Models, Molecular; D011485:Protein Binding; D018894:Reverse Transcriptase Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D013329:Structure-Activity Relationship; D013844:Thiazoles / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D014779:Virus Replication
chemical_list: D019380:Anti-HIV Agents; D008024:Ligands; D018894:Reverse Transcriptase Inhibitors; D013844:Thiazoles; D054303:HIV Reverse Transcriptase