Three-dimensional quantitative structure-activity relationships study on HIV-1 reverse transcriptase inhibitors in the class of dipyridodiazepinone derivatives, using comparative molecular field analysis

Journal of Molecular Graphics and Modelling

Volumn 18, Issue 6, 2000, Pages

  Pungpo, Pornpan ^a   Hannongbua, Supa ^a  

^a KASETSART UNIVERSITY   (Thailand)

Author keywords

3D QSAR; CoMFA; HIV 1 RT; Molecular modeling; Nevirapine; NNRTI; Quantum chemical calculations

Indexed keywords

ENZYME INHIBITION; MOLECULAR STRUCTURE; X RAY CRYSTALLOGRAPHY; BINDING ENERGY; CORROSION INHIBITORS; ELECTROSTATICS;

COMPARATIVE MOLECULAR FIELD ANALYSIS (COMFA); REVERSE TRANSCRYPTASE;

MOLECULAR GRAPHICS; DERIVATIVES;

11 CYCLOPROPYL 5,11 DIHYDRO 4 METHYL 6H PYRIDO[3,2 B]PYRIDO[2',3' E][1,4]DIAZEPIN 6 ONE; DIAZEPINE DERIVATIVE; KETONE; MUTANT PROTEIN; NEVIRAPINE; RNA DIRECTED DNA POLYMERASE INHIBITOR; UNCLASSIFIED DRUG;

ANALYTIC METHOD; ARTICLE; CALCULATION; DRUG RECEPTOR BINDING; DRUG STRUCTURE; ENZYME INHIBITION; HUMAN IMMUNODEFICIENCY VIRUS 1; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM CHEMISTRY; STEREOCHEMISTRY; X RAY CRYSTALLOGRAPHY;

HUMAN IMMUNODEFICIENCY VIRUS 1;

COMPARATIVE MOLECULAR FIELD ANALYSIS (COMFA); THREE-DIMENSIONAL QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP METHOD;

EID: 0034463939     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(00)00053-X     Document Type: Article

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