Potential broad spectrum inhibitors of the Coronavirus 3CLpro: A virtual screening and structure-based drug design study

Viruses

Volumn 7, Issue 12, 2015, Pages 6642-6660

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

^a UNIVERSITY OF THE WESTERN CAPE   (South Africa)

Author keywords

3CLpro; Human coronaviruses; Molecular docking; Molecular dynamics; Structure based drug design; Virtual screening

Indexed keywords

ANTIVIRUS AGENT; PROTEIN 3CLPRO; PROTEINASE; PROTEINASE INHIBITOR; UNCLASSIFIED DRUG; 3C-LIKE PROTEASE, SARS CORONAVIRUS; CYSTEINE PROTEINASE; CYSTEINE PROTEINASE INHIBITOR; VIRAL PROTEIN;

ALGORITHM; ARTICLE; BINDING AFFINITY; COMPUTER PROGRAM; CORONAVIRIDAE; CORONAVIRIDAE INFECTION; DRUG DESIGN; DRUG SCREENING; DRUG TARGETING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NONHUMAN; PHARMACOPHORE; SEQUENCE HOMOLOGY; VIRTUAL REALITY; X RAY CRYSTALLOGRAPHY; ANTAGONISTS AND INHIBITORS; CHEMISTRY; DRUG EFFECTS; HUMAN; ISOLATION AND PURIFICATION; PRECLINICAL STUDY; PROCEDURES;

ANTIVIRAL AGENTS; CORONAVIRUS; CYSTEINE ENDOPEPTIDASES; CYSTEINE PROTEINASE INHIBITORS; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; HUMANS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; VIRAL PROTEINS;

EID: 84949983513     PISSN: None     EISSN: 19994915     Source Type: Journal    
DOI: 10.3390/v7122963     Document Type: Article

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