Human topoisomerase I poisoning: Docking protoberberines into a structure-based binding site model

Journal of Computer-Aided Molecular Design

Volumn 18, Issue 12, 2004, Pages 785-796

  Kettmann, Viktor ^a   Košt'álová, Daniela ^a   Höltje, Hans Dieter ^b  

^a Department of Pharmaceutical Analysis and Nuclear Pharmacy   (Slovakia)

^b HEINRICH HEINE UNIVERSITY   (Germany)

Author keywords

Anti cancer drugs; Human topoisomerase I poisoning; Protoberberine alkaloids; Structure based molecular modeling

Indexed keywords

ALKALOIDS; CRYSTAL STRUCTURE; DISEASES; METABOLITES;

ANTICANCER DRUG; BINDING SITE MODELS; GENERAL MODEL; HUMAN TOPOISOMERASE; HUMAN TOPOISOMERASE I POISONING; PROTOBERBERINE ALKALOIDS; STRUCTURE-BASED; STRUCTURE-BASED MOLECULAR MODELING; TOPOISOMERASE I; X RAY CRYSTAL STRUCTURES;

CHROMOPHORES;

5,6 DIHYDRO 2,3 METHYLENE DIOXY 9,10 DIMETHOXYDIBENZO[A,G]QUINOLIZINIUM; 5,6 DIHYDRO 2,3,10,11 TETRAMETHOXYDIBENZO[A,G] QUINOLIZINIUM; 5,6 DIHYDRO 2,3,9,10 TETRAMETHOXYDIBENZO[A,G] QUINOLIZINIUM; 5,6 DIHYDRO 3,4,10,11 TETRAMETHOXYDIBENZO[A,G] QUINOLIZINIUM; ANTINEOPLASTIC AGENT; BERBERINE; CAMPTOTHECIN; DNA TOPOISOMERASE; PROTOBERBERINE; PROTOBERBERINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CHROMATOPHORE; COMPUTER PROGRAM; CORRELATION ANALYSIS; CYTOTOXICITY; DNA BINDING; DNA CLEAVAGE; DNA FLANKING REGION; DRUG BINDING SITE; DRUG DNA INTERACTION; DRUG STRUCTURE; GEOMETRY; LIGAND BINDING; MATHEMATICAL COMPUTING; MOLECULAR MODEL; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION; VALIDATION PROCESS; X RAY CRYSTALLOGRAPHY;

EID: 22144437996     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-004-7878-1     Document Type: Article

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