A Computational Model for Anthracycline Binding to DNA: Tuning Groove-Binding Intercalators for Specific Sequences

Journal of Medicinal Chemistry

Volumn 47, Issue 6, 2004, Pages 1360-1374

  Cashman, Derek J ^a   Kellogg, Glen E ^a  

^a VIRGINIA COMMONWEALTH UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

2' BROMO 4' EPIDAUNORUBICIN; 2' CHLORO 4' EPIDAUNORUBICIN; 2' FLUORO 4' EPIDAUNORUBICIN; 2' IODO 4' EPIDAUNORUBICIN; 3' (3 CYANOMORPHOLINO) 3' DEAMINODOXORUBICIN; 4' IODOESORUBICIN; 9 DEHYDROXYDOXORUBICIN; ADRIAMYCINONE; ANNAMYCIN; ANTHRACYCLINE ANTIBIOTIC AGENT; BROMODOXORUBICIN; CARBOXYDAUNORUBICIN GAMMA LACTAM; CHLORODOXORUBICIN; DAUNOMYCINONE; DAUNORUBICIN; DAUNOSAMINE; DOXORUBICIN 3',4' DIACETATE; DOXORUBICIN DERIVATIVE; FLUORODOXORUBICIN; HYDROXYDOXORUBICIN; IDARUBICIN; N (BROMOACETYL)DOXORUBICIN; N (CHLOROACETYL)DOXORUBICIN; N (FLUOROACETYL)DOXORUBICIN; N (IODOACETYL)DOXORUBICIN; PIRARUBICIN; TRIFLUOROACETAMIDE; UNCLASSIFIED DRUG; UNINDEXED DRUG; WP 608; ZORUBICIN;

ARTICLE; BASE PAIRING; BINDING AFFINITY; BINDING KINETICS; CORRELATION ANALYSIS; DRUG DESIGN; DRUG DNA BINDING; DRUG POTENCY; DRUG STRUCTURE; ENERGY; GENE EXPRESSION REGULATION; HALOGENATION; MATHEMATICAL MODEL; MOLECULAR MODEL; REGULATORY MECHANISM; STRUCTURE ACTIVITY RELATION;

ANTHRACYCLINES; ANTINEOPLASTIC AGENTS; BASE SEQUENCE; COMPUTER SIMULATION; DNA; DOXORUBICIN; INTERCALATING AGENTS; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 1542358019     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm030529h     Document Type: Article

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