Human coronavirus OC43 3CL protease and the potential of ML188 as a broad-spectrum lead compound: Homology modelling and molecular dynamic studies

BMC Structural Biology

Volumn 15, Issue 1, 2015, Pages

  Berry, Michael ^a   Fielding, Burtram ^a   Gamieldien, Junaid ^a  

^a UNIVERSITY OF THE WESTERN CAPE   (South Africa)

Author keywords

3CLpro; Homology modeling; Human coronavirus; Molecular dynamics; OC43

Indexed keywords

ACETAMIDE DERIVATIVE; CORONAVIRUS 3 CHYMOTRYPSIN LIKE PROTEASE; ENZYME INHIBITOR; LIGAND; N(TERT BUTYL) 2 (N ARYLAMIDO) 2 (PYRIDIN 3 YL)ACETAMIDE; UNCLASSIFIED DRUG; VIRUS ENZYME; 3C-LIKE PROTEASE, SARS CORONAVIRUS; CYSTEINE PROTEINASE; VIRAL PROTEIN;

ARTICLE; CONFORMATION; DRUG BINDING; ENERGY; ENZYME ACTIVE SITE; ENZYME BINDING; HUMAN; HUMAN CORONAVIRUS OC43; HYDROGEN BOND; MOLECULAR DYNAMICS; SARS CORONAVIRUS; SIMULATION; ANTAGONISTS AND INHIBITORS; CHEMISTRY; ENZYMOLOGY; METABOLISM; MOLECULAR MODEL; PROTEIN TERTIARY STRUCTURE; STRUCTURAL HOMOLOGY; STRUCTURE ACTIVITY RELATION;

CORONAVIRUS; SARS CORONAVIRUS;

ACETAMIDES; CATALYTIC DOMAIN; CORONAVIRUS OC43, HUMAN; CYSTEINE ENDOPEPTIDASES; HUMANS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PROTEIN STRUCTURE, TERTIARY; STRUCTURAL HOMOLOGY, PROTEIN; STRUCTURE-ACTIVITY RELATIONSHIP; VIRAL PROTEINS;

EID: 84928533657     PISSN: None     EISSN: 14726807     Source Type: Journal    
DOI: 10.1186/s12900-015-0035-3     Document Type: Article

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