title: Optimization of pyrimidinyl- and triazinyl-amines as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
abstract: Non-nucleoside inhibitors of HIV-1 reverse transcriptase are being pursued through synthesis and assaying for anti-viral activity. Following computational analyses, the focus has been on the motif Het-NH-Ph-U, where Het is an aromatic heterocycle and U is an unsaturated, hydrophobic group. Previous investigations with Het=2-thiazoyl and 2-pyrimidinyl are extended here to triazinyl derivatives. The result is several NNRTIs in the 2-20 nM range with negligible cytotoxicity and auspicious predicted pharmacological properties.
authors.affiliation: Department of Chemistry, Yale University, New Haven, CT 06520-8107, USA.
authors.forename: Vinay V
authors.initials: VV
authors.lastname: Thakur
authors.forename: Joseph T
authors.initials: JT
authors.lastname: Kim
authors.forename: Andrew D
authors.initials: AD
authors.lastname: Hamilton
authors.forename: Christopher M
authors.initials: CM
authors.lastname: Bailey
authors.forename: Robert A
authors.initials: RA
authors.lastname: Domaoal
authors.forename: Ligong
authors.initials: L
authors.lastname: Wang
authors.forename: Karen S
authors.initials: KS
authors.lastname: Anderson
authors.forename: William L
authors.initials: WL
authors.lastname: Jorgensen
mesh_terms: D000588:Amines / Q000737:chemistry / Q000494:pharmacology*; D054303:HIV Reverse Transcriptase / Q000037:antagonists & inhibitors*; D015497:HIV-1 / Q000201:enzymology*; D011743:Pyrimidines / Q000737:chemistry / Q000494:pharmacology*; D014227:Triazines / Q000737:chemistry / Q000494:pharmacology*
chemical_list: D000588:Amines; D011743:Pyrimidines; D014227:Triazines; D054303:HIV Reverse Transcriptase