2D and 3D Quantitative structure-activity relationship study of hepatitis c virus ns5b polymerase inhibitors by comparative molecular field analysis and comparative molecular similarity indices analysis methods

Journal of Chemical Information and Modeling

Volumn 54, Issue 10, 2014, Pages 2902-2914

  Pourbasheer, Eslam ^a   Aalizadeh, Reza ^b   Shokouhi Tabar, Samira ^a   Ganjali, Mohammad Reza ^c,d   Norouzi, Parviz ^c,d   Shadmanesh, Javad ^b  

^a PAYAME NOOR UNIVERSITY   (Iran)

^b UNIVERSITY OF ATHENS   (Greece)

^c UNIVERSITY OF TEHRAN   (Iran)

^d TEHRAN UNIVERSITY OF MEDICAL SCIENCES   (Iran)

Author keywords

[No Author keywords available]

Indexed keywords

BIOACTIVITY; ENZYME INHIBITION; LINEAR REGRESSION; MOLECULAR GRAPHICS; STRUCTURES (BUILT OBJECTS); VIRUSES;

COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE-MOLECULAR-SIMILARITY-INDICES ANALYSIS; CORRELATION COEFFICIENT; HEPATITIS C VIRUS NS5B POLYMERASE; PREDICTIVE ABILITIES; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP STUDIES; STEPWISE MULTIPLE LINEAR REGRESSION; THREE DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (3D QSAR);

COMPUTATIONAL CHEMISTRY;

ANTIVIRUS AGENT; LIGAND; MOLECULAR LIBRARY; NS-5 PROTEIN, HEPATITIS C VIRUS; NUCLEIC ACID SYNTHESIS INHIBITOR; PROTEIN BINDING; VIRUS PROTEIN;

ANTAGONISTS AND INHIBITORS; BINDING SITE; CHEMISTRY; COMPARATIVE STUDY; CONFORMATION; DRUG DESIGN; ENZYMOLOGY; GENE EXPRESSION; HEPACIVIRUS; MOLECULAR LIBRARY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL; THERMODYNAMICS;

ANTIVIRAL AGENTS; BINDING SITES; DRUG DESIGN; GENE EXPRESSION; HEPACIVIRUS; LIGANDS; LINEAR MODELS; MOLECULAR CONFORMATION; NUCLEIC ACID SYNTHESIS INHIBITORS; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SMALL MOLECULE LIBRARIES; THERMODYNAMICS; VIRAL NONSTRUCTURAL PROTEINS;

EID: 84908256362     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500216c     Document Type: Article

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