Exploiting ChEMBL database to identify indole analogs as HCV replication inhibitors

Methods

Volumn 71, Issue C, 2015, Pages 4-13

  Vrontaki, Eleni ^a,b   Melagraki, Georgia ^a   Mavromoustakos, Thomas ^b   Afantitis, Antreas ^a  

^a NOVAMECHANICS LTD   (Cyprus)

^b UNIVERSITY OF ATHENS   (Greece)

Author keywords

3D QSAR CoMSIA; ChEMBL database; HCV replication inhibitors; Molecular docking; Virtual Screening

Indexed keywords

ANTIVIRUS AGENT; INDOLE DERIVATIVE; RNA DIRECTED RNA POLYMERASE INHIBITOR; RNA DIRECTED RNA POLYMERASE;

ANTIVIRAL ACTIVITY; ARTICLE; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; COMPUTER MODEL; DATA BASE; HEPATITIS C; HUMAN; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR MODEL; NONHUMAN; PARTIAL LEAST SQUARES REGRESSION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SCREENING; VIRUS REPLICATION; ANTAGONISTS AND INHIBITORS; CHEMICAL DATABASE; CHEMISTRY; DRUG DEVELOPMENT; DRUG EFFECTS; HEPACIVIRUS; PHYSIOLOGY; PROCEDURES;

HEPATITIS C VIRUS;

DATABASES, CHEMICAL; DRUG DISCOVERY; HEPACIVIRUS; INDOLES; MOLECULAR DOCKING SIMULATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RNA REPLICASE; VIRUS REPLICATION;

EID: 84922690087     PISSN: 10462023     EISSN: 10959130     Source Type: Journal    
DOI: 10.1016/j.ymeth.2014.03.021     Document Type: Article

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