Virtual screening of potential inhibitors from TCM for the CPSF30 binding site on the NS1A protein of influenza a virus

Journal of Molecular Modeling

Volumn 20, Issue 3, 2014, Pages

  Ai, Haixin ^a   Zhang, Li ^a   Chang, Alan K ^a   Wei, Hongyun ^a   Che, Yuchen ^a   Liu, Hongsheng ^a  

^a LIAONING UNIVERSITY   (China)

Author keywords

Influenza A virus; Molecular docking; Molecular simulation; NS1A CPSF30 binding site

Indexed keywords

MEMBRANE PROTEIN; NONSTRUCTURAL PROTEIN 1; PROTEIN CPSF30; PROTEIN INHIBITOR; UNCLASSIFIED DRUG; ANTIVIRUS AGENT; CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR; INS1 PROTEIN, INFLUENZA VIRUS; VIRUS PROTEIN;

ARTICLE; BINDING AFFINITY; BINDING SITE; CHINESE MEDICINE; COMPLEX FORMATION; CRYSTAL STRUCTURE; HYDROGEN BOND; HYDROPHOBICITY; INFLUENZA VIRUS A; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR WEIGHT; PRIORITY JOURNAL; PROTEIN DOMAIN; PROTEIN PROTEIN INTERACTION; SCREENING; ALGORITHM; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; DRUG EFFECT; FACTUAL DATABASE; HOST PATHOGEN INTERACTION; HUMAN; INFLUENZA; INFLUENZA VIRUS A H1N1; KINETICS; METABOLISM; PHYSIOLOGY; PROTEIN BINDING; PROTEIN TERTIARY STRUCTURE; VIROLOGY;

INFLUENZA A VIRUS;

ALGORITHMS; ANTIVIRAL AGENTS; BINDING SITES; CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR; DATABASES, FACTUAL; HOST-PATHOGEN INTERACTIONS; HUMANS; INFLUENZA A VIRUS, H1N1 SUBTYPE; INFLUENZA, HUMAN; KINETICS; MEDICINE, CHINESE TRADITIONAL; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; VIRAL NONSTRUCTURAL PROTEINS;

EID: 84894090822     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-014-2142-7     Document Type: Article

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