Reliability of bond dissociation enthalpy calculated by the PM6 method and experimental TEAC values in antiradical QSAR of flavonoids

Bioorganic and Medicinal Chemistry

Volumn 18, Issue 1, 2010, Pages 28-35

  Amić, Dragan ^a   Lučić, Bono ^b  

^a JOSIP JURAJ STROSSMAYER UNIVERSITY OF OSIJEK   (Croatia)

^b RUDER BO KOVI INSTITUTE   (Croatia)

Author keywords

ABTS assay; Bond dissociation enthalpy; Flavonoids; Free radical scavenging; PM6 method; QSAR modeling; RM1 method; TEAC; VCEAC

Indexed keywords

6 HYDROXYFLAVONE; APIGENIN; APIGETRIN; AURANTIIN; BAICALEIN; BIOCHANIN A; CATECHIN; CHRYSIN; DAIDZEIN; DAIDZIN; ERIODICTYOL; FLAVONOID; FLAVONOL; FORMONONETIN; GALANGIN; GENISTIN; GLYCITEIN; HESPERIDIN; ISOVITEXIN; KAEMPFEROL; LUTEOLIN; MORIN; MYRICETIN; NARINGENIN; NARIRUTIN; ORIENTIN; QUERCETIN; TAXIFOLIN; UNINDEXED DRUG; VITEXIN;

ANTIOXIDANT ACTIVITY; ARTICLE; DENSITY FUNCTIONAL THEORY; DRUG STRUCTURE; ENTHALPY; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

FLAVONOIDS; FREE RADICAL SCAVENGERS; MODELS, BIOLOGICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUANTUM THEORY; SOFTWARE; THERMODYNAMICS;

EID: 72049086021     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2009.11.015     Document Type: Article

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