Antitumor benzothiazoles. Frontier molecular orbital analysis predicts bioactivation of 2-(4-aminophenyl)benzothiazoles to reactive intermediates by cytochrome P4501A1

Organic and Biomolecular Chemistry

Volumn 1, Issue 3, 2003, Pages 493-497

  O'Brien, Sean E ^a   Browne, Helen L ^a   Bradshaw, Tracey D ^a   Westwell, Andrew D ^a   Stevens, Malcolm F G ^a   Laughton, Charles A ^a  

^a UNIVERSITY OF NOTTINGHAM   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

DNA; ELECTRONIC STRUCTURE; IONS; METABOLITES; MOLECULAR ORIENTATION; QUANTUM THEORY;

AMINOPHENYLBENZOTHIAZOLES; ANTITUMOR BENZOTHIAZOLE; NITRENIUM SPECIES;

ORGANIC COMPOUNDS;

ANTINEOPLASTIC AGENT; BENZOTHIAZOLE; BENZOTHIAZOLE DERIVATIVE; CATION; CYTOCHROME P450 1A1; FLUORINATED HYDROCARBON; THIAZOLE DERIVATIVE;

ARTICLE; BINDING SITE; BIOTRANSFORMATION; BREAST TUMOR; CELL CULTURE; CELL DEATH; CHEMICAL STRUCTURE; CHEMISTRY; DNA ADDUCT; DOSE RESPONSE; DRUG ANTAGONISM; DRUG EFFECT; FEMALE; HUMAN; METABOLISM; OXIDATION REDUCTION REACTION; PHYSIOLOGY;

ANTINEOPLASTIC AGENTS; BENZOTHIAZOLES; BINDING SITES; BIOTRANSFORMATION; BREAST NEOPLASMS; CATIONS; CELL DEATH; CYTOCHROME P-450 CYP1A1; DNA ADDUCTS; DOSE-RESPONSE RELATIONSHIP, DRUG; FEMALE; HUMANS; HYDROCARBONS, FLUORINATED; MODELS, MOLECULAR; OXIDATION-REDUCTION; THIAZOLES; TUMOR CELLS, CULTURED;

EID: 0042319001     PISSN: 14770520     EISSN: None     Source Type: Journal    
DOI: 10.1039/b209067h     Document Type: Article

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