Singh, Vivek Kumar <br/><br/>
Drug repurposing for chronic myeloid leukemia: in silico and in vitro investigation of DrugBank database for allosteric Bcr-Abl inhibitors.  [electronic resource] 

 -  Journal of biomolecular structure & dynamics  Jun 2017 
 - 1833-1848 p.  digital 
<br/><br/> Publication Type: Journal Article 
<br/><br/><label>ISSN: </label>1538-0254 
<br/><br/><label>Standard No.: </label>10.1080/07391102.2016.1196462  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Allosteric Site<br/>Antineoplastic Agents--pharmacology<br/>Binding Sites<br/>Catalytic Domain<br/>Cell Proliferation--drug effects<br/>Dasatinib--pharmacology<br/>Databases, Chemical<br/>Drug Combinations<br/>Drug Repositioning<br/>Drug Resistance, Neoplasm<br/>Drug Synergism<br/>ErbB Receptors--antagonists & inhibitors<br/>Fusion Proteins, bcr-abl--antagonists & inhibitors<br/>Gefitinib<br/>Humans<br/>Imatinib Mesylate--pharmacology<br/>K562 Cells<br/>Molecular Dynamics Simulation<br/>Protein Binding<br/>Protein Conformation, alpha-Helical<br/>Protein Conformation, beta-Strand<br/>Protein Interaction Domains and Motifs<br/>Protein Kinase Inhibitors--pharmacology<br/>Quinazolines--chemistry<br/>Thermodynamics