title: Discovery of novel benzimidazolones as potent non-nucleoside reverse transcriptase inhibitors active against wild-type and mutant HIV-1 strains.
abstract: Molecular modeling studies led to the rational discovery of N(1)-arylsulfonyl-1,3-dihydro-2H-benzimidazol-2-one as a novel template for the design of new non-nucleoside reverse transcriptase inhibitors (NNRTIs) that are active against wild-type and mutant strains of HIV-1. It is worth noting that compound 3 proved to have antiretroviral activity similar to that of efavirenz and greater than that of nevirapine, two of the three NNRTIs currently available in antiretroviral therapy.
authors.affiliation: Dipartimento Farmaco-Chimico, Università di Messina, Viale Annunziata, 98168 Messina, Italy. barreca@pharma.unime.it
authors.forename: Maria Letizia
authors.initials: ML
authors.lastname: Barreca
authors.forename: Angela
authors.initials: A
authors.lastname: Rao
authors.forename: Laura
authors.initials: L
authors.lastname: De Luca
authors.forename: Nunzio
authors.initials: N
authors.lastname: Iraci
authors.forename: Anna-Maria
authors.initials: AM
authors.lastname: Monforte
authors.forename: Giovanni
authors.initials: G
authors.lastname: Maga
authors.forename: Erik
authors.initials: E
authors.lastname: De Clercq
authors.forename: Christophe
authors.initials: C
authors.lastname: Pannecouque
authors.forename: Jan
authors.initials: J
authors.lastname: Balzarini
authors.forename: Alba
authors.initials: A
authors.lastname: Chimirri
mesh_terms: D000163:Acquired Immunodeficiency Syndrome / Q000188:drug therapy*; D000480:Alkynes; D044966:Anti-Retroviral Agents / Q000494:pharmacology*; D048588:Benzoxazines / Q000494:pharmacology; D002460:Cell Line; D002626:Chemistry, Pharmaceutical / Q000379:methods*; D003521:Cyclopropanes; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000494:pharmacology; D015497:HIV-1 / Q000235:genetics*; D006801:Humans; D020128:Inhibitory Concentration 50; D008958:Models, Molecular; D008968:Molecular Conformation; D009154:Mutation; D019829:Nevirapine / Q000494:pharmacology; D018894:Reverse Transcriptase Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology
chemical_list: D000480:Alkynes; D044966:Anti-Retroviral Agents; D048588:Benzoxazines; D003521:Cyclopropanes; D004791:Enzyme Inhibitors; D018894:Reverse Transcriptase Inhibitors; D019829:Nevirapine; C098320:efavirenz