Structure-based virtual screening, synthesis and SAR of novel inhibitors of hepatitis C virus NS5B polymerase

Bioorganic and Medicinal Chemistry

Volumn 18, Issue 13, 2010, Pages 4630-4638

  Talele, Tanaji T ^a   Arora, Payal ^b   Kulkarni, Shridhar S ^a   Patel, Maulik R ^a   Singh, Satyakam ^a   Chudayeu, Maksim ^b   Kaushik Basu, Neerja ^b  

^a ST JOHN'S UNIVERSITY   (United States)

^b RUTGERS NEW JERSEY MEDICAL SCHOOL   (United States)

Author keywords

Imidazocoumarin; NS5B polymerase; Rhodanine; SAR; Virtual screening

Indexed keywords

2 [5 (2 NITROBENZYLIDENE) 4 OXO 2 THIOXOTHIAZOLIDIN 3 YL]ACETIC ACID; 2 [5 (3 CHLOROBENZYLIDENE) 4 OXO 2 THIOXOTHIAZOLIDIN 3 YL]ACETIC ACID; 2 [5 (3 PHENOXYBENZYLIDENE) 4 OXO 2 THIOXOTHIAZOLIDIN 3 YL]ACETIC ACID; 2 [5 (3,4 DICHLOROBENZYLIDENE) 4 OXO 2 THIOXOTHIAZOLIDIN 3 YL]ACETIC ACID; 2 [5 (4 FLUOROBENZYLIDENE) 4 OXO 2 THIOXOTHIAZOLIDIN 3 YL]ACETIC ACID; 2 [5 (4 NITROBENZYLIDENE) 4 OXO 2 THIOXOTHIAZOLIDIN 3 YL]ACETIC ACID; ACETIC ACID DERIVATIVE; ANTIVIRUS AGENT; NONSTRUCTURAL PROTEIN 5B; UNCLASSIFIED DRUG;

ALLOSTERISM; ARTICLE; DRUG PROTEIN BINDING; DRUG SCREENING; DRUG STRUCTURE; DRUG SYNTHESIS; HEPATITIS C VIRUS; IC 50; MOLECULAR DOCKING; PROCESS OPTIMIZATION; STRUCTURE ACTIVITY RELATION;

ALLOSTERIC REGULATION; ANTIVIRAL AGENTS; BENZYLIDENE COMPOUNDS; BINDING SITES; COMPUTER SIMULATION; DATABASES, FACTUAL; ENZYME INHIBITORS; HEPACIVIRUS; RHODANINE; STRUCTURE-ACTIVITY RELATIONSHIP; THIAZOLES; VIRAL NONSTRUCTURAL PROTEINS;

HEPATITIS C VIRUS;

EID: 77954214956     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2010.05.030     Document Type: Article

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