Assessment on the binding characteristics of dasatinib, a tyrosine kinase inhibitor to calf thymus DNA: insights from multi-spectroscopic methodologies and molecular docking as well as DFT calculation
| Autor: | Song-Bo Kou, Zhen-Yi Lin, Kai-Li Zhou, Jie-Hua Shi, Yan-Yue Lou, Bao-Li Wang, Yu-Jie Luo |
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| Rok vydání: | 2019 |
| Předmět: |
Binding Sites
Viscosity medicine.drug_class Chemistry Circular Dichroism Dasatinib DNA General Medicine Tyrosine-kinase inhibitor Viscosity measurement Molecular Docking Simulation chemistry.chemical_compound Spectrometry Fluorescence Biochemistry Structural Biology hemic and lymphatic diseases medicine Thermodynamics Spectrophotometry Ultraviolet Protein Kinase Inhibitors Molecular Biology Density Functional Theory medicine.drug |
| Zdroj: | Journal of Biomolecular Structure and Dynamics. 38:4210-4220 |
| ISSN: | 1538-0254 0739-1102 |
| DOI: | 10.1080/07391102.2019.1676824 |
| Popis: | The binding characteristics of calf thymus DNA (ct-DNA) with dasatinib (DSTN), a tyrosine kinase inhibitor was assessed through multi-spectroscopic methodologies and viscosity measurement combined with molecular docking as well as DFT calculation to understand the binding mechanism, affinity of DSTN onto ct-DNA, effect of DSTN on ct-DNA conformation, and among others. The results confirmed DSTN bound onto ct-DNA, leading to forming the DSTN-ct-DNA complex with the binding constant of 4.82 × 10 |
| Databáze: | OpenAIRE |
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