Computer Modeling and Synthesis of Potential Inhibitors of Tyrosine Kinase BCR-ABL with the T315I Mutation
| Autor: | A. N. Fedarkevich, O. L. Sharko, Vadim V. Shmanai |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
0301 basic medicine
010405 organic chemistry Hydrogen bond Organic Chemistry Intermolecular force 01 natural sciences Biochemistry Fusion protein T315i mutation 0104 chemical sciences 03 medical and health sciences chemistry.chemical_compound 030104 developmental biology chemistry Mutant protein hemic and lymphatic diseases Tyrosine kinase Pyrrole |
| Zdroj: | Russian Journal of Bioorganic Chemistry. 46:187-198 |
| ISSN: | 1608-330X 1068-1620 |
| DOI: | 10.1134/s1068162020020089 |
| Popis: | A comparative analysis of the interaction of the chimeric protein BCR-ABL, of the normal type and with the T315I mutation, with known inhibitors as well as compounds potentially capable of inhibiting the mutant protein has been carried out by computer modeling. It has been shown that the compounds proposed are incorported into the structure of the protein with the retention of the basic hydrogen bonds and intermolecular interactions. Two structures containing the pyrrole cycle have been synthesized, which, according to the results of computer modeling, appear to be most promising. |
| Databáze: | OpenAIRE |
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