Exploring DNA topoisomerase I inhibition by the benzo[c]phenanthridines fagaronine and ethoxidine using steered molecular dynamics

Bioorganic and Medicinal Chemistry

Volumn 15, Issue 14, 2007, Pages 4741-4752

  Clark, Rachel L ^a   Deane, Fiona M ^b   Anthony, Nahoum G ^a   Johnston, Blair F ^a   McCarthy, Florence O ^b   Mackay, Simon P ^a  

^a UNIVERSITY OF STRATHCLYDE   (United Kingdom)

^b UNIVERSITY COLLEGE CORK   (Ireland)

Author keywords

Benzo c phenanthridine; Intercalator; Molecular dynamics; Topoisomerase

Indexed keywords

BENZO[C]PHENANTHRIDINE DERIVATIVE; DNA TOPOISOMERASE; ETHOXIDINE; FAGARONINE; QUINOLONE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CRYSTAL STRUCTURE; DRUG CONFORMATION; DRUG DNA BINDING; DRUG MECHANISM; INTERCALATION COMPLEX; MOLECULAR DYNAMICS; SAMPLE; SIMULATION;

ALKALOIDS; BENZOPHENANTHRIDINES; COMPUTER SIMULATION; DNA; DNA TOPOISOMERASES, TYPE I; ENZYME INHIBITORS; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PHENANTHRIDINES; PHENOL; PHOSPHATES; TYROSINE;

EID: 34249720504     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2007.05.002     Document Type: Article

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