A theory of mode of action of azolylalkylquinolines as DNA binding agents using automated flexible ligand docking

Journal of Molecular Graphics and Modelling

Volumn 25, Issue 4, 2006, Pages 459-469

  Sobhani, Armin Madadkar ^a   Rasoul Amini, Sara ^b   Tyndall, Joel D A ^c   Azizi, Ebrahim ^d   Daneshtalab, Mohsen ^e   Khalaj, Ali ^b  

^a IRAN UNIVERSITY OF MEDICAL SCIENCES   (Iran)

^b TEHRAN UNIVERSITY OF MEDICAL SCIENCES   (Iran)

^c UNIVERSITY OF OTAGO   (New Zealand)

^d TEHRAN UNIVERSITY OF MEDICAL SCIENCES   (Iran)

^e MEMORIAL UNIVERSITY OF NEWFOUNDLAND   (Canada)

Author keywords

AutoDock; Cytotoxic quinolines; DNA binding; HIN2PDBQS; Molecular docking

Indexed keywords

CORRELATION METHODS; DNA; MOLECULAR STRUCTURE; TOXIC MATERIALS;

AUTODOCKS; CYTOTOXIC QUINOLINES; DNA BINDING; HIN2PDBQS; MOLECULAR DOCKING;

AROMATIC COMPOUNDS;

DITERCALINIUM; DOXORUBICIN; OLIGONUCLEOTIDE; PROPAMIDINE; QUINOLINE DERIVATIVE;

ARTICLE; BINDING AFFINITY; CORRELATION ANALYSIS; CORRELATION COEFFICIENT; DNA BINDING; DRUG DNA BINDING; DRUG MECHANISM; IC 50; INTERNAL VALIDITY; MOLECULAR INTERACTION; MOLECULAR MODEL; PREDICTION; PRIORITY JOURNAL; PROTEIN DATA BANK; SIMULATION; THEORETICAL MODEL;

BINDING SITES; CYTOTOXINS; DNA; INTERCALATING AGENTS; LIGANDS; MODELS, MOLECULAR; NUCLEIC ACID CONFORMATION; OLIGODEOXYRIBONUCLEOTIDES; QUINOLINES; SOFTWARE; THERMODYNAMICS;

EID: 33750497822     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2006.02.010     Document Type: Article

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