Drug repurposing for chronic myeloid leukemia: in silico and in vitro investigation of DrugBank database for allosteric Bcr-Abl inhibitors. [electronic resource]
Producer: 20180223Description: 1833-1848 p. digitalISSN:- 1538-0254
- Allosteric Site
- Antineoplastic Agents -- pharmacology
- Binding Sites
- Catalytic Domain
- Cell Proliferation -- drug effects
- Dasatinib -- pharmacology
- Databases, Chemical
- Drug Combinations
- Drug Repositioning
- Drug Resistance, Neoplasm
- Drug Synergism
- ErbB Receptors -- antagonists & inhibitors
- Fusion Proteins, bcr-abl -- antagonists & inhibitors
- Gefitinib
- Humans
- Imatinib Mesylate -- pharmacology
- K562 Cells
- Molecular Dynamics Simulation
- Protein Binding
- Protein Conformation, alpha-Helical
- Protein Conformation, beta-Strand
- Protein Interaction Domains and Motifs
- Protein Kinase Inhibitors -- pharmacology
- Quinazolines -- chemistry
- Thermodynamics
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Publication Type: Journal Article
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