Study of the mechanism of antibacterial action of 1,4-di- and 1,4,5-trisubstituted 1Н-1,2,3-triazoles by molecular modeling
The target for antibacterial action of 1,4-di- and 1,4,5-trisubstituted 1H-1,2,3-triazoles against E. coli ATCC 25922 and S. aureus ATCC 6538 was proposed. Structures of target proteins and investigated triazoles were built using molecular modeling. Binding mechanism was suggested according to condu...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | Belarusian |
| Published: |
Belarusian State University
2020-03-01
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| Series: | Журнал Белорусского государственного университета: Химия |
| Subjects: | |
| Online Access: | https://journals.bsu.by/index.php/chemistry/article/view/1278 |
| Summary: | The target for antibacterial action of 1,4-di- and 1,4,5-trisubstituted 1H-1,2,3-triazoles against E. coli ATCC 25922 and S. aureus ATCC 6538 was proposed. Structures of target proteins and investigated triazoles were built using molecular modeling. Binding mechanism was suggested according to conducted docking studies. Suggested binding models and affinity for a binding site of 1,4-disubstituted 1H-1,2,3-triazoles correlated with their experimental activity. Further functionalization directions for continuation of a search for a novel effective antibacterial agents were discovered. |
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| ISSN: | 2520-257X 2617-3980 |