Theoretical investigation of the radical scavenging activity of shikonin and acylshikonin derivatives

Journal of Molecular Modeling

Volumn 18, Issue 4, 2012, Pages 1401-1408

  Jin, Ruifa ^a   Bai, Yin ^a  

^a Chifeng University   (China)

Author keywords

Acylshikonin derivatives; Hydrogen atom transfer mechanism; One electron transfer mechanism; Radical scavenging activity; Shikonin

Indexed keywords

ACYLSHIKONIN DERIVATIVE; FURAN DERIVATIVE; HYDROGEN; PYRROLE DERIVATIVE; SCAVENGER; SHIKONIN DERIVATIVE; THIOPHENE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; ATOM; CHEMICAL STRUCTURE; DENSITY; DENSITY FUNCTIONAL THEORY; DISSOCIATION; DRUG ACTIVITY; HYDROGEN BOND; IONIZATION; MOLECULAR MECHANICS; PRIORITY JOURNAL; THEORETICAL STUDY;

FREE RADICAL SCAVENGERS; FREE RADICALS; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NAPHTHOQUINONES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84861235986     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1170-9     Document Type: Article

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