Quantum chemical study of the intermediate complex required for iron-mediated reactivity and antimalarial activity of dispiro-1,2,4-trioxolanes

Journal of Molecular Graphics and Modelling

Volumn 27, Issue 3, 2008, Pages 394-400

  Creek, Darren J ^a   Chalmers, David K ^a   Charman, William N ^a   Duke, Brian J ^a  

^a MONASH UNIVERSITY   (Australia)

Author keywords

Antimalarial; Density functional methods; Iron; Quantum chemistry; Trioxolane

Indexed keywords

CHEMICAL REACTIVITY; COORDINATION REACTIONS; FLOW INTERACTIONS; ISOMERS; OXIDATION; QUANTUM CHEMISTRY; RATE CONSTANTS; REACTION RATES;

ANTIMALARIAL; DENSITY FUNCTIONAL METHODS; IRON; TRIOXOLANE;

IRON COMPOUNDS;

ANTIMALARIAL AGENT; IRON COMPLEX; PEROXIDE;

AB INITIO CALCULATION; ANTIMALARIAL ACTIVITY; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BOND; COMPLEX FORMATION; CONFORMATION; DRUG CLEARANCE; DRUG STRUCTURE; ISOMER; MOLECULAR INTERACTION; PRIORITY JOURNAL; QUANTUM CHEMISTRY; STRUCTURE ANALYSIS;

ANTIMALARIALS; ARTEMISININS; IRON; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; SPIRO COMPOUNDS; THERMODYNAMICS;

EID: 53649104456     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2008.06.008     Document Type: Article

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