Classical QSAR modeling of HIV-1 reverse transcriptase inhibitor 2-amino-6-arylsulfonylbenzonitriles and congeners

QSAR and Combinatorial Science

Volumn 23, Issue 1, 2004, Pages 23-35

  Leonard, J Thomas ^a   Roy, Kunal ^a  

^a JADAVPUR UNIVERSITY   (India)

Author keywords

2 amino 6 arylsulfonylbenzonitriles; AM1 calculations; Anti HIV 1 activity; HIV RT binding affinity; QSAR

Indexed keywords

CELL CULTURE; COMPUTATIONAL CHEMISTRY; FREE ENERGY; REFRACTION; REFRACTIVE INDEX;

2-AMINO-6-ARYLSULFONYLBENZONITRILE; AM1 CALCULATIONS; ANTI-HIV-1 ACTIVITY; ARYL RINGS; BINDING AFFINITIES; HIV-1 REVERSE TRANSCRIPTASE; HIV-REVERSE TRANSCRIPTASE BINDING AFFINITY; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP MODELING; REVERSE-TRANSCRIPTASE;

BINDING ENERGY;

2 AMINO 6 SULFONYLBENZONITRILE; BENZONITRILE; POLYCYCLIC AROMATIC HYDROCARBON DERIVATIVE; RNA DIRECTED DNA POLYMERASE; RNA DIRECTED DNA POLYMERASE INHIBITOR; SULFONE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; BINDING SITE; ELECTRICITY; ELECTRONICS; GEOMETRY; HUMAN IMMUNODEFICIENCY VIRUS 1; HUMAN IMMUNODEFICIENCY VIRUS INFECTION; HYDROPHOBICITY; LIGAND BINDING; LINEAR FREE ENERGY MODEL; MODEL; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL ANALYSIS; STEREOCHEMISTRY;

HUMAN IMMUNODEFICIENCY VIRUS; HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 2942550228     PISSN: 1611020X     EISSN: None     Source Type: Journal    
DOI: 10.1002/qsar.200330845     Document Type: Article

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