Detailed computational study of the active site of the hepatitis C viral rna polymerase to aid novel drug design

Journal of Chemical Information and Modeling

Volumn 53, Issue 11, 2013, Pages 3031-3043

  Barakat, Khaled H ^a,c   Law, John ^a   Prunotto, Alessio ^d   Magee, Wendy C ^a   Evans, David H ^a   Tyrrell, D Lorne ^a   Tuszynski, Jack ^b   Houghton, Michael ^a  

^a UNIVERSITY OF ALBERTA   (Canada)

^b UNIVERSITY OF ALBERTA   (Canada)

^c FAYOUM UNIVERSITY   (Egypt)

^d POLITECNICO DI TORINO   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIVIRAL AGENTS; BINDING ENERGY; NUCLEOTIDES; VIRUSES;

BINDING INTERACTION; COMPREHENSIVE MODEL; COMPUTATIONAL STUDIES; HEPATITIS C VIRUS; MOLECULAR DYNAMICS SIMULATIONS; NUCLEOTIDE STRUCTURE; RNA POLYMERASE; STRUCTURAL ELEMENTS;

MOLECULAR DYNAMICS;

ANTIVIRUS AGENT; ENZYME INHIBITOR; NS 5 PROTEIN, HEPATITIS C VIRUS; NS-5 PROTEIN, HEPATITIS C VIRUS; NUCLEOTIDE; RNA DIRECTED RNA POLYMERASE; VIRUS PROTEIN;

AMINO ACID SEQUENCE; ARTICLE; CHEMISTRY; DRUG ANTAGONISM; DRUG DESIGN; DRUG DEVELOPMENT; ENZYME ACTIVE SITE; GENOTYPE; HEPATITIS C VIRUS; METHODOLOGY; MOLECULAR DYNAMICS; MOLECULAR GENETICS; MOLECULAR MIMICRY; PROTEIN BINDING; SEQUENCE ALIGNMENT; SEQUENCE HOMOLOGY; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

AMINO ACID SEQUENCE; ANTIVIRAL AGENTS; CATALYTIC DOMAIN; DRUG DESIGN; DRUG DISCOVERY; ENZYME INHIBITORS; GENOTYPE; HEPACIVIRUS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR MIMICRY; MOLECULAR SEQUENCE DATA; NUCLEOTIDES; PROTEIN BINDING; RESEARCH DESIGN; RNA REPLICASE; SEQUENCE ALIGNMENT; SEQUENCE HOMOLOGY, AMINO ACID; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS; VIRAL NONSTRUCTURAL PROTEINS;

EID: 84888628148     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci4003969     Document Type: Article

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