A proposed molecular basis for the selective resveratrol inhibition of the PGHS-1 peroxidase activity

Bioorganic and Medicinal Chemistry

Volumn 13, Issue 21, 2005, Pages 5981-5985

  Kümmerle, Arthur E ^a   Sperandio Da Silva, Gilberto M ^a   Sant'Anna, Carlos M R ^a,b   Barreiro, Eliezer J ^a   Fraga, Carlos A M ^a  

^a FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

^b FEDERAL RURAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

Author keywords

Anti inflammatory drugs; Docking; FlexX; Heme group; Molecular modeling; Peroxidase activity; Resveratrol; Selective PGHS 1 inhibition

Indexed keywords

CARBONYL DERIVATIVE; HEME; HISTIDINE; HYDROGEN; HYDROXYL GROUP; IRON; LEUCINE; PEROXIDASE; PHENYL GROUP; PROSTAGLANDIN ENDOPEROXIDE H2 SYNTHASE 1; PROSTAGLANDIN SYNTHASE; PROSTAGLANDIN SYNTHASE INHIBITOR; RESVERATROL; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; DRUG SELECTIVITY; ENZYME ACTIVITY; ENZYME BINDING; ENZYME INHIBITION; HYDROGEN BOND; INHIBITION KINETICS; MODEL; PREDICTION; STEREOSPECIFICITY;

BINDING SITES; CYCLOOXYGENASE 1; CYCLOOXYGENASE INHIBITORS; MODELS, MOLECULAR; PEROXIDASES; PROTEIN STRUCTURE, TERTIARY; STILBENES; SUBSTRATE SPECIFICITY;

EID: 25844518402     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2005.07.028     Document Type: Article

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