Persistence of camptothecin analog - topoisomerase I - DNA ternary complexes: A molecular dynamics study

Journal of the American Chemical Society

Volumn 130, Issue 52, 2008, Pages 17928-17937

  Siu, Fung Ming ^a   Che, Chi Ming ^a  

^a UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

BASE PAIRS; CAMPTOTHECIN; CAMPTOTHECIN ANALOGS; CORRELATED MOTIONS; COVALENT COMPLEX; DRUG DISCOVERY PROCESS; DRUG DISSOCIATION; HYDROPHOBIC INTERACTIONS; MOLECULAR BASIS; MOLECULAR DYNAMICS SIMULATIONS; ROTATION ANGLES; STRUCTURE ACTIVITY RELATIONSHIPS; TERNARY COMPLEX; TOPOISOMERASE I; VAN DER WAALS;

BODY FLUIDS; DNA; DYNAMICS; GENES; HYDROPHOBICITY; MOLECULAR DYNAMICS; NUCLEIC ACIDS; VAN DER WAALS FORCES;

DRUG INTERACTIONS;

10,11 METHYLENEDOXY CAMPTOTHECIN; 14 AZACAMPTOTHECIN; 7 ETHYL 10 HYDROXY CAMPTOTHECIN; 7 ETHYL 10,11 METHYLENEDOXY CAMPTOTHECIN; 9 AMINOCAMPTOTHECIN; CAMPTOTHECIN; DNA; DNA TOPOISOMERASE; TOPOTECAN; UNCLASSIFIED DRUG; ANTINEOPLASTIC AGENT; DRUG DERIVATIVE; ENZYME INHIBITOR;

ARTICLE; BASE PAIRING; CONTROLLED STUDY; DNA SUPERCOILING; DRUG HALF LIFE; DRUG STRUCTURE; HYDROPHOBICITY; MOLECULAR DYNAMICS; SIMULATION; STRUCTURE ACTIVITY RELATION; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG ANTAGONISM; METABOLISM; STATIC ELECTRICITY; THERMODYNAMICS;

ANTINEOPLASTIC AGENTS, PHYTOGENIC; CAMPTOTHECIN; COMPUTER SIMULATION; DNA; DNA TOPOISOMERASES, TYPE I; ENZYME INHIBITORS; MODELS, MOLECULAR; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 58849133822     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja806934y     Document Type: Article

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