title: An orally bioavailable pyrrolinone inhibitor of HIV-1 protease: computational analysis and X-ray crystal structure of the enzyme complex.
authors.affiliation: Department of Chemistry, University of Pennsylvania, Philadelphia 19104, USA.
authors.forename: A B
authors.initials: AB
authors.lastname: Smith
authors.forename: R
authors.initials: R
authors.lastname: Hirschmann
authors.forename: A
authors.initials: A
authors.lastname: Pasternak
authors.forename: W
authors.initials: W
authors.lastname: Yao
authors.forename: P A
authors.initials: PA
authors.lastname: Sprengeler
authors.forename: M K
authors.initials: MK
authors.lastname: Holloway
authors.forename: L C
authors.initials: LC
authors.lastname: Kuo
authors.forename: Z
authors.initials: Z
authors.lastname: Chen
authors.forename: P L
authors.initials: PL
authors.lastname: Darke
authors.forename: W A
authors.initials: WA
authors.lastname: Schleif
mesh_terms: D000284:Administration, Oral; D000998:Antiviral Agents / Q000008:administration & dosage / Q000737:chemistry* / Q000493:pharmacokinetics; D001682:Biological Availability; D018360:Crystallography, X-Ray; D004151:Dipeptides / Q000008:administration & dosage / Q000737:chemistry / Q000493:pharmacokinetics; D015195:Drug Design; D016333:HIV Protease / Q000378:metabolism*; D017320:HIV Protease Inhibitors / Q000008:administration & dosage / Q000737:chemistry* / Q000493:pharmacokinetics; D006860:Hydrogen Bonding; D019469:Indinavir / Q000737:chemistry; D007211:Indoles / Q000008:administration & dosage / Q000737:chemistry / Q000493:pharmacokinetics; D008958:Models, Molecular; D008970:Molecular Weight; D011487:Protein Conformation; D011758:Pyrroles / Q000008:administration & dosage / Q000737:chemistry* / Q000493:pharmacokinetics
chemical_list: D000998:Antiviral Agents; D004151:Dipeptides; D017320:HIV Protease Inhibitors; D007211:Indoles; D011758:Pyrroles; C074651:L 685434; D019469:Indinavir; D016333:HIV Protease