Computational studies of HIV-1 integrase and its inhibitors

Current Computer-Aided Drug Design

Volumn 3, Issue 3, 2007, Pages 160-190

  Nunthaboot, Nadtanet ^a,b   Pianwanit, Somsak ^b   Parasuk, Vudhichai ^b   Kokpol, Sirirat ^b   Briggs, James M ^a  

^a University of Houston   (United States)

^b CHULALONGKORN UNIVERSITY   (Thailand)

Author keywords

CADD; De novo pharmacophore modeling; HIV 1 integrase; Molecular dynamics simulations; QSAR docking

Indexed keywords

COMPUTATIONAL CHEMISTRY; DISEASES; GENES; LIFE CYCLE; MOLECULAR GRAPHICS; PHARMACODYNAMICS; SEARCH ENGINES; THREE DIMENSIONAL COMPUTER GRAPHICS; VIRUSES;

COMPUTER AIDED DRUG DESIGN; DE NOVO PHARMACOPHORE MODELING; DYNAMICS SIMULATION; HUMAN IMMUNODEFICIENCY VIRUS; HUMAN IMMUNODEFICIENCY VIRUS-1; HUMAN IMMUNODEFICIENCY VIRUS-1 INTEGRASE; INTEGRASE; MOLECULAR DYNAMIC SIMULATION; PHARMACOPHORE MODELS; QSAR DOCKING;

MOLECULAR DYNAMICS;

1 (5 CHLOROINDOL 3 YL) 3 HYDROXY 3 (2H TETRAZOL 5 YL)PROPENONE; 1 [5 (4 FLUOROBENZYL) 2 FURYL] 3 (1,2,4 TRIAZOL 3 YL) 1,3 PROPANEDIONE; AROMATIC AMIDE; BIS(HYDROXYETHYL)SULFONAMIDE SUBSTITUTED 1 AMINO 4 HYDROXYANTHRAQUINONE DERIVATIVE; CAFFEIC ACID PHENETHYL ESTER; CICHORIC ACID; COUMARIN DERIVATIVE; CURCUMIN DERIVATIVE; INDOLE 2,3 DIONE DERIVATIVE; INTEGRASE; INTEGRASE INHIBITOR; ISOQUINOLONE 5 SULFONAMIDE DERIVATIVE; N (4 FLUOROBENZYL) 8 HYDROXY 5 (TETRAHYDRO 2H 1,2 THIAZIN 2 YL) 1,6 NAPHTHYRIDINE 7 CARBOXAMIDE S,S DIOXIDE; NSC 115290; NSC 158393; NSC 37078; NSC 685587; NSC 685588; NSC 685589; NSC 685593; NSC 685594; NSC 74489; PHTHALIMIDE DERIVATIVE; QUINALIZARIN; SALICYLHYDRAZIDE DERIVATIVE; STYRYLQUINOLINE DERIVATIVE; TETRACYCLINE DERIVATIVE; THIAZOLOTHAIZEPINE DERIVATIVE; TYROPHOSTIN DERIVATIVE; UNCLASSIFIED DRUG; UNINDEXED DRUG; VIRUS DNA;

ANTIVIRAL ACTIVITY; CLINICAL TRIAL; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; COMPUTER AIDED DESIGN; COMPUTER SIMULATION; CRYSTAL STRUCTURE; DRUG DESIGN; DRUG SCREENING; DRUG TARGETING; ENZYME INHIBITION; HUMAN; HUMAN IMMUNODEFICIENCY VIRUS 1; HYDROGEN BOND; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; PHARMACOPHORE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEPTOR BINDING; REVIEW; THREE DIMENSIONAL IMAGING; VALIDATION PROCESS;

EID: 48149101517     PISSN: 15734099     EISSN: None     Source Type: Journal    
DOI: 10.2174/157340907781695459     Document Type: Review

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