Computational design of effective, bioinspired HOCl antioxidants: The role of intramolecular Cl+ and H+ shifts

Journal of the American Chemical Society

Volumn 134, Issue 46, 2012, Pages 19240-19245

  Karton, Amir ^a,b   O'Reilly, Robert J ^a,b,e   Pattison, David I ^b,c,d   Davies, Michael J ^b,c,d   Radom, Leo ^a,b  

^a UNIVERSITY OF SYDNEY   (Australia)

^b Australian Government Australian Research Council   (Australia)

^c HEART RESEARCH INSTITUTE   (Australia)

^d University of Sydney   (Australia)

^e UNIVERSITY OF TASMANIA   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIOXIDANT ACTIVITIES; BIO-INSPIRED; CARNOSINE; COMPUTATIONAL DESIGN; COMPUTATIONAL MODELING; DESIGN SYSTEMS; HYPOCHLOROUS ACIDS; INFLAMMATORY DISEASE; KINETIC MEASUREMENT; MYELOPEROXIDASE; OXIDATIVE DAMAGE; STRUCTURAL FEATURE; STRUCTURAL RELATIONSHIP;

AGENTS; CARBOXYLIC ACIDS; CHLORINE; FUNCTIONAL GROUPS; SCAVENGING;

PLANTS (BOTANY);

AMINE; ANTIOXIDANT; CARNOSINE; CHLORIDE; CHLORINE; HYDROGEN; HYPOCHLOROUS ACID; PROTON; SCAVENGER;

ARTICLE; CHLORINATION; DRUG DESIGN; KINETICS; MOLECULAR INTERACTION; STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

ANTIOXIDANTS; CHLORIDES; DRUG DESIGN; HYPOCHLOROUS ACID; MODELS, MOLECULAR; PROTONS;

EID: 84869486640     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja309273n     Document Type: Article

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