Molecular dynamics simulation revealed binding of nucleotide inhibitors to ZIKV polymerase over 444 nanoseconds

Journal of Medical Virology

Volumn 90, Issue 1, 2018, Pages 13-18

  Elfiky, Abdo A ^a,b   Elshemey, Wael M ^a  

^a CAIRO UNIVERSITY   (Egypt)

^b ABDUS SALAM INTERNATIONAL CENTRE FOR THEORETICAL PHYSICS   (Italy)

Author keywords

guanosine inhibitors; molecular docking; molecular dynamics simulation; polymerase; protein ligand docking; Zika virus

Indexed keywords

GUANOSINE; GUANOSINE TRIPHOSPHATE; IDX 184; MERICITABINE; MK 0608; NONSTRUCTURAL PROTEIN 5; NONSTRUCTURAL PROTEIN 5B; NUCLEOTIDYLTRANSFERASE INHIBITOR; RIBAVIRIN; RNA DIRECTED RNA POLYMERASE INHIBITOR; SOFOSBUVIR; UNCLASSIFIED DRUG; VIRUS ENZYME; VIRUS RNA; ANTIVIRUS AGENT; NUCLEOTIDE; RNA DIRECTED RNA POLYMERASE;

ARTICLE; BINDING AFFINITY; DRUG BINDING SITE; DRUG PROTEIN BINDING; DRUG SCREENING; ENZYME INHIBITION; MOLECULAR DOCKING; MOLECULAR DYNAMICS; RNA BINDING; VIRUS ATTACHMENT; ZIKA VIRUS; ANALOGS AND DERIVATIVES; ANTAGONISTS AND INHIBITORS; BINDING SITE; BRAZIL; CHEMISTRY; DRUG EFFECT; ENZYMOLOGY; HUMAN; METABOLISM;

ANTIVIRAL AGENTS; BINDING SITES; BRAZIL; GUANOSINE; GUANOSINE TRIPHOSPHATE; HUMANS; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; NUCLEOTIDES; RNA REPLICASE; ZIKA VIRUS;

EID: 85030096112     PISSN: 01466615     EISSN: 10969071     Source Type: Journal    
DOI: 10.1002/jmv.24934     Document Type: Article

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