Molecular determinants underlying binding specificities of the ABL kinase inhibitors: Combining alanine scanning of binding hot spots with network analysis of residue interactions and coevolution

PLoS ONE

Volumn 10, Issue 6, 2015, Pages

  Tse, Amanda ^a   Verkhivker, Gennady M ^a  

^a CHAPMAN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABELSON KINASE; BOSUTINIB; DASATINIB; NILOTINIB; PROTEIN TYROSINE KINASE INHIBITOR; 4-METHYL-N-(3-(4-METHYLIMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL)-3-((4-PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO)BENZAMIDE; ALANINE; ANILINE DERIVATIVE; NITRILE; PROTEIN BINDING; PROTEIN KINASE INHIBITOR; PYRIMIDINE DERIVATIVE; QUINOLINE DERIVATIVE;

ARTICLE; BINDING SITE; CALCULATION; CATALYSIS; COEVOLUTION; COMPUTATIONAL ALANINE SCANNING; CONTROLLED STUDY; DRUG RECEPTOR BINDING; DRUG SPECIFICITY; DRUG STABILITY; HUMAN; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MUTATIONAL ANALYSIS; PROPENSITY SCORE; ANTAGONISTS AND INHIBITORS; DRUG EFFECTS; METABOLISM; PROTEIN CONFORMATION; PROTEIN PROTEIN INTERACTION; THERMODYNAMICS; ULTRASTRUCTURE; X RAY CRYSTALLOGRAPHY;

ALANINE; ANILINE COMPOUNDS; CRYSTALLOGRAPHY, X-RAY; DASATINIB; HUMANS; MOLECULAR DYNAMICS SIMULATION; NITRILES; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN INTERACTION MAPS; PROTEIN KINASE INHIBITORS; PROTO-ONCOGENE PROTEINS C-ABL; PYRIMIDINES; QUINOLINES; THERMODYNAMICS;

EID: 84936864687     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0130203     Document Type: Article

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