Molecular mechanism of viral resistance to a potent non-nucleoside inhibitor unveiled by molecular simulations

Biochemistry

Volumn 53, Issue 44, 2014, Pages 6941-6953

  Asthana, Shailendra ^a,b   Shukla, Saumya ^a,c   Ruggerone, Paolo ^a   Vargiu, Attilio V ^a  

^a UNIVERSITY OF CAGLIARI   (Italy)

^b Translational Health Science and Technology Institute   (India)

^c NONE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DRUG THERAPY; ENZYMES; RNA;

BENZIMIDAZOLE DERIVATIVES; BOVINE VIRAL DIARRHEA VIRUS; COMPUTATIONAL STUDIES; MOLECULAR MECHANISM; MOLECULAR PICTURES; MOLECULAR SIMULATIONS; NANOMOLAR CONCENTRATION; RESISTANCE MECHANISMS;

VIRUSES;

ANTIVIRUS AGENT; APOENZYME; APOLIPOPROTEIN M; APOPROTEIN; BENZIMIDAZOLE DERIVATIVE; HOLOENZYME; NONNUCLEOSIDE INHIBITOR; RNA DIRECTED RNA POLYMERASE; UNCLASSIFIED DRUG; PROTEIN BINDING; VIRUS PROTEIN;

ALGORITHM; ANTIVIRAL RESISTANCE; ARTICLE; BINDING SITE; BOVINE VIRAL DIARRHEA VIRUS; CONFORMATIONAL TRANSITION; DIMERIZATION; ENZYME STRUCTURE; GENE MUTATION; MOLECULAR DOCKING; MOLECULAR DYNAMICS; NONHUMAN; PESTIVIRUS; POLYMERIZATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN PROTEIN INTERACTION; PROTEIN SECONDARY STRUCTURE; PROTEIN STRUCTURE; RNA REPLICATION; RNA SYNTHESIS; SIMULATION; BOVINE DIARRHEA VIRUS; CHEMISTRY; ENZYME ACTIVE SITE; ENZYMOLOGY; THERMODYNAMICS;

ANTIVIRAL AGENTS; APOENZYMES; CATALYTIC DOMAIN; DIARRHEA VIRUSES, BOVINE VIRAL; DRUG RESISTANCE, VIRAL; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; RNA REPLICASE; THERMODYNAMICS; VIRAL PROTEINS;

EID: 84909641215     PISSN: 00062960     EISSN: 15204995     Source Type: Journal    
DOI: 10.1021/bi500490z     Document Type: Article

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