Discovery of Novel Hepatitis C Virus NS5B Polymerase Inhibitors by Combining Random Forest, Multiple e-Pharmacophore Modeling and Docking

PLoS ONE

Volumn 11, Issue 2, 2016, Pages

  Wei, Yu ^a   Li, Jinlong ^a,b   Qing, Jie ^d   Huang, Mingjie ^e   Wu, Ming ^d   Gao, Fenghua ^d   Li, Dongmei ^a   Hong, Zhangyong ^a   Kong, Lingbao ^e   Huang, Weiqiang ^c   Lin, Jianping ^a,b  

^a NANKAI UNIVERSITY   (China)

^b Tianjin Joint Academy of Biomedicine and Technology   (China)

^c PracticaChem China   (China)

^d TSINGHUA UNIVERSITY   (China)

^e JIANGXI AGRICULTURAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIVIRUS AGENT; HEPATITIS C VIRUS NS5B POLYMERASE INHIBITOR; NONSTRUCTURAL PROTEIN 5B; UNCLASSIFIED DRUG; ENZYME INHIBITOR; NS-5 PROTEIN, HEPATITIS C VIRUS; RNA DIRECTED RNA POLYMERASE; VIRAL PROTEIN;

ANTIVIRAL ACTIVITY; ARTICLE; BINDING SITE; CC50; CELL PROLIFERATION ASSAY; CHRONIC HEPATITIS C; CONTROLLED STUDY; CYTOTOXICITY ASSAY; DRUG DATABASE; DRUG SCREENING; DRUG STRUCTURE; HEPATITIS C VIRUS; HUMAN; HUMAN CELL; IC50; INTERBIOSCREEN DATABASE; LIGAND BINDING; MOLECULAR DOCKING; NONHUMAN; PHARMACOPHORE; RANDOM FOREST; ANTAGONISTS AND INHIBITORS; CELL LINE; CELL PROLIFERATION; DRUG DESIGN; DRUG EFFECTS; HEPACIVIRUS; HEPATITIS C, CHRONIC; PATHOGENICITY; PRECLINICAL STUDY; STRUCTURE ACTIVITY RELATION; ULTRASTRUCTURE; VIROLOGY;

ANTIVIRAL AGENTS; BINDING SITES; CELL LINE; CELL PROLIFERATION; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; HEPACIVIRUS; HEPATITIS C, CHRONIC; HUMANS; MOLECULAR DOCKING SIMULATION; RNA REPLICASE; STRUCTURE-ACTIVITY RELATIONSHIP; VIRAL NONSTRUCTURAL PROTEINS;

EID: 84958811904     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0148181     Document Type: Article

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