Molecular docking identifies the binding of 3-chloropyridine moieties specifically to the S1 pocket of SARS-CoV Mpro

Bioorganic and Medicinal Chemistry

Volumn 16, Issue 1, 2008, Pages 293-302

  Niu, Chunying ^a   Yin, Jiang ^a   Zhang, Jianmin ^a   Vederas, John C ^a   James, Michael N G ^a  

^a UNIVERSITY OF ALBERTA   (Canada)

Author keywords

3C like proteinase; Chloropyridine; Drug design; Non peptidyl proteinase inhibitor; SARS coronavirus; Small molecule docking

Indexed keywords

3 CHLOROPYRIDINE DERIVATIVE; PROTEINASE; PROTEINASE INHIBITOR; PROTEINASE M PRO; UNCLASSIFIED DRUG; VIRUS ENZYME;

AMINO ACID SEQUENCE; ARTICLE; BINDING KINETICS; CRYSTAL STRUCTURE; DRUG SYNTHESIS; ENERGY TRANSFER; ENZYME INHIBITOR INTERACTION; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; MOLECULAR RECOGNITION; PROTEINASE INHIBITION; SARS CORONAVIRUS; STRUCTURE ACTIVITY RELATION;

ANTIVIRAL AGENTS; BINDING SITES; CYSTEINE ENDOPEPTIDASES; CYSTEINE PROTEINASE INHIBITORS; HUMANS; INHIBITORY CONCENTRATION 50; PYRIDINES; SARS VIRUS; VIRAL PROTEINS;

SARS CORONAVIRUS;

EID: 38049056240     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2007.09.034     Document Type: Article

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