Tautomerism and magnesium chelation of HIV-1 integrase inhibitors: A theoretical study

ChemMedChem

Volumn 5, Issue 7, 2010, Pages 1053-1066

  Liao, Chenzhong ^a   Nicklaus, Marc C ^a  

^a NATIONAL CANCER INSTITUTE   (United States)

Author keywords

Chelates; Density functional calculations; HIV 1 integrase; Inhibitors; Tautomerism

Indexed keywords

AMIDE; CARBOXYLIC ACID DERIVATIVE; ELVITEGRAVIR; FORMIC ACID; HYDROXYL GROUP; INTEGRASE INHIBITOR; MAGNESIUM; PHENOL DERIVATIVE; PYRIMIDINE DERIVATIVE; QUINOLONE DERIVATIVE; TRIAZOLE DERIVATIVE; VIRUS DNA; CARBOXYLIC ACID; CHELATING AGENT; INTEGRASE; OXOACID; P31 INTEGRASE PROTEIN, HUMAN IMMUNODEFICIENCY VIRUS 1;

ARTICLE; CHELATION; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; DRUG BINDING SITE; DRUG STRUCTURE; HUMAN IMMUNODEFICIENCY VIRUS 1; MOLECULAR STABILITY; NONHUMAN; PRIORITY JOURNAL; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; ENZYME ACTIVE SITE; HUMAN; METABOLISM; QUANTUM THEORY;

BINDING SITES; CARBOXYLIC ACIDS; CATALYTIC DOMAIN; CHELATING AGENTS; HIV INTEGRASE; HIV INTEGRASE INHIBITORS; HUMANS; KETO ACIDS; MAGNESIUM; MODELS, MOLECULAR; PYRIMIDINES; QUANTUM THEORY; QUINOLONES; TRIAZOLES;

EID: 77954100589     PISSN: 18607179     EISSN: 18607187     Source Type: Journal    
DOI: 10.1002/cmdc.201000039     Document Type: Article

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