β-Amino acid substitutions and structure-based CoMFA modeling of hepatitis C virus NS3 protease inhibitors

Bioorganic and Medicinal Chemistry

Volumn 16, Issue 10, 2008, Pages 5590-5605

  Nurbo, Johanna ^a   Peterson, Shane D ^a   Dahl, Göran ^b   Helena Danielson, U ^b   Karlén, Anders ^a   Sandström, Anja ^a  

^a UPPSALA UNIVERSITY   (Sweden)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

Amino acid; 3D QSAR; CoMFA; Docking; HCV; Hepatitis C; NS3; Protease inhibitor

Indexed keywords

CARBOXYLIC ACID; CILUPREVIR; ITMN 191; N [3 AMINO 1 (CYCLOBUTYLMETHYL) 2,3 DIOXOPROPYL] 3 [2 (3 TERT BUTYLUREIDO) 3,3 DIMETHYL 1 OXOBUTYL] 6,6 DIMETHYL 3 AZABICYCLO[3.1.0]HEXANE 2 CARBOXAMIDE; NONSTRUCTURAL PROTEIN 3; PROTEINASE INHIBITOR; TELAPREVIR; TRIPEPTIDE;

AMINO ACID SEQUENCE; AMINO ACID SUBSTITUTION; ARTICLE; CARBOXY TERMINAL SEQUENCE; COMPARATIVE MOLECULAR FIELD ANALYSIS; DRUG POTENCY; DRUG STRUCTURE; DRUG SYNTHESIS; ENZYME INHIBITION; HEPATITIS C VIRUS; MOLECULAR MODEL; NONHUMAN; PROTEIN BINDING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SEQUENCE ANALYSIS; STRUCTURE ANALYSIS;

AMINO ACIDS; DRUG EVALUATION, PRECLINICAL; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEASE INHIBITORS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STEREOISOMERISM; VIRAL NONSTRUCTURAL PROTEINS;

HEPATITIS C VIRUS;

EID: 43749110907     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2008.04.005     Document Type: Article

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