The binding modes and binding affinities of epipodophyllotoxin derivatives with human topoisomerase IIα

Journal of Molecular Graphics and Modelling

Volumn 29, Issue 4, 2010, Pages 546-564

  Naik, Pradeep Kumar ^a   Dubey, Abhishek ^a   Soni, Komal ^a   Kumar, Rishay ^a   Singh, Harvinder ^a  

^a JAYPEE UNIVERSITY OF INFORMATION TECHNOLOGY   (India)

Author keywords

Docking; eMBrAcE; Epipodophyllotoxin; Human topoisomerase II

Indexed keywords

3D STRUCTURE; BIMOLECULAR ASSOCIATION; BINDING AFFINITIES; BINDING MODES; DERIVATIZATIONS; DNA COMPLEX; DOCKING SCORE; DOUBLE STRANDED DNA; EMBRACE; EPIPODOPHYLLOTOXIN; FREE ENERGY OF BINDING; GOOD DATA; HOMOLOGY MODELING; HUMAN CANCER; HUMAN TOPOISOMERASE; LOW LEVEL; MOLECULAR DESCRIPTORS; PREDICTION MODEL; PREDICTIVE CAPABILITIES; ROOT MEAN SQUARE ERRORS; SPECIFIC INHIBITORS; STRUCTURE ACTIVITY RELATIONSHIPS; THERAPEUTIC VALUES; TOPOISOMERASE II; VIRTUAL LIBRARIES;

ASSOCIATION REACTIONS; COMPLEXATION; DIGITAL LIBRARIES; DOCKING; LEAD COMPOUNDS; MATHEMATICAL MODELS; NUCLEIC ACIDS; THREE DIMENSIONAL;

BINDING ENERGY;

DNA TOPOISOMERASE; EPIPODOPHYLLOTOXIN DERIVATIVE; TOPOISOMERASE 2 ALPHA; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; DERIVATIZATION; DNA BINDING; DNA DRUG COMPLEX; DRUG BINDING; DRUG STRUCTURE; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION;

AMINO ACID SEQUENCE; ANTIGENS, NEOPLASM; BINDING SITES; DNA; DNA TOPOISOMERASES, TYPE II; DNA-BINDING PROTEINS; HUMANS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; PODOPHYLLOTOXIN; PROTEIN STRUCTURE, SECONDARY; SEQUENCE ALIGNMENT; THERMODYNAMICS;

EID: 78650517282     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2010.10.005     Document Type: Article

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