New 1,2,4-Triazole Potential Inhibitors of Mycobacterial Imidazoleglycerol-Phosphate Dehydratase (IGPD)
A number of new 5-aminomethyl-1,2,4-triazole-3-carboxamides, demonstrating high model affinity to the IGPD catalytic site comparable with that of the native substrate, were synthesized. The derivatives obtained were tested for antimicrobial potential against <i>M. smegmatis</i>, a specie...
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MDPI AG
2024-11-01
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| author | Eugenia Oleynik Ekaterina Pyankina Ekaterina Mitina Ekaterina Mikhina Andrey Matveev |
| author_facet | Eugenia Oleynik Ekaterina Pyankina Ekaterina Mitina Ekaterina Mikhina Andrey Matveev |
| author_sort | Eugenia Oleynik |
| collection | DOAJ |
| description | A number of new 5-aminomethyl-1,2,4-triazole-3-carboxamides, demonstrating high model affinity to the IGPD catalytic site comparable with that of the native substrate, were synthesized. The derivatives obtained were tested for antimicrobial potential against <i>M. smegmatis</i>, a species related to <i>M. tuberculosis</i>. During the initial antimicrobial activity evaluation in vitro, some compounds investigated inhibited microbial growth. Moreover, high binding energy values calculated for compounds/enzyme’s catalytic site complexes correlated with the compounds’ antimicrobial efficacy. This suggests that the probable biological action mechanism of new 5-aminomethyl-1,2,4-triazole-3-carboxamides may be based on their binding to the catalytic site of IGPD, which provides prerequisites for further study of this class of compounds as potential IGPD inhibitors. |
| format | Article |
| id | doaj-art-0b7c40d28ef24b95b8ef230c9eed2f3e |
| institution | Kabale University |
| issn | 2673-4583 |
| language | English |
| publishDate | 2024-11-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Chemistry Proceedings |
| spelling | doaj-art-0b7c40d28ef24b95b8ef230c9eed2f3e2025-08-20T03:26:11ZengMDPI AGChemistry Proceedings2673-45832024-11-011616710.3390/ecsoc-28-20178New 1,2,4-Triazole Potential Inhibitors of Mycobacterial Imidazoleglycerol-Phosphate Dehydratase (IGPD)Eugenia Oleynik0Ekaterina Pyankina1Ekaterina Mitina2Ekaterina Mikhina3Andrey Matveev4Department of Biotechnology and Industrial Pharmacy, Lomonosov Institute of Fine Chemical Technologies, MIREA-Russian Technological University, Moscow 119454, RussiaDepartment of Biotechnology and Industrial Pharmacy, Lomonosov Institute of Fine Chemical Technologies, MIREA-Russian Technological University, Moscow 119454, RussiaDepartment of Biotechnology and Industrial Pharmacy, Lomonosov Institute of Fine Chemical Technologies, MIREA-Russian Technological University, Moscow 119454, RussiaDepartment of Biotechnology and Industrial Pharmacy, Lomonosov Institute of Fine Chemical Technologies, MIREA-Russian Technological University, Moscow 119454, RussiaDepartment of Biotechnology and Industrial Pharmacy, Lomonosov Institute of Fine Chemical Technologies, MIREA-Russian Technological University, Moscow 119454, RussiaA number of new 5-aminomethyl-1,2,4-triazole-3-carboxamides, demonstrating high model affinity to the IGPD catalytic site comparable with that of the native substrate, were synthesized. The derivatives obtained were tested for antimicrobial potential against <i>M. smegmatis</i>, a species related to <i>M. tuberculosis</i>. During the initial antimicrobial activity evaluation in vitro, some compounds investigated inhibited microbial growth. Moreover, high binding energy values calculated for compounds/enzyme’s catalytic site complexes correlated with the compounds’ antimicrobial efficacy. This suggests that the probable biological action mechanism of new 5-aminomethyl-1,2,4-triazole-3-carboxamides may be based on their binding to the catalytic site of IGPD, which provides prerequisites for further study of this class of compounds as potential IGPD inhibitors.https://www.mdpi.com/2673-4583/16/1/675-aminomethyl-1,2,4-triazole-3-carboxamidesimidazoleglycerol-phosphate dehydrataseIGPD inhibitorsanti-tuberculosis agents |
| spellingShingle | Eugenia Oleynik Ekaterina Pyankina Ekaterina Mitina Ekaterina Mikhina Andrey Matveev New 1,2,4-Triazole Potential Inhibitors of Mycobacterial Imidazoleglycerol-Phosphate Dehydratase (IGPD) Chemistry Proceedings 5-aminomethyl-1,2,4-triazole-3-carboxamides imidazoleglycerol-phosphate dehydratase IGPD inhibitors anti-tuberculosis agents |
| title | New 1,2,4-Triazole Potential Inhibitors of Mycobacterial Imidazoleglycerol-Phosphate Dehydratase (IGPD) |
| title_full | New 1,2,4-Triazole Potential Inhibitors of Mycobacterial Imidazoleglycerol-Phosphate Dehydratase (IGPD) |
| title_fullStr | New 1,2,4-Triazole Potential Inhibitors of Mycobacterial Imidazoleglycerol-Phosphate Dehydratase (IGPD) |
| title_full_unstemmed | New 1,2,4-Triazole Potential Inhibitors of Mycobacterial Imidazoleglycerol-Phosphate Dehydratase (IGPD) |
| title_short | New 1,2,4-Triazole Potential Inhibitors of Mycobacterial Imidazoleglycerol-Phosphate Dehydratase (IGPD) |
| title_sort | new 1 2 4 triazole potential inhibitors of mycobacterial imidazoleglycerol phosphate dehydratase igpd |
| topic | 5-aminomethyl-1,2,4-triazole-3-carboxamides imidazoleglycerol-phosphate dehydratase IGPD inhibitors anti-tuberculosis agents |
| url | https://www.mdpi.com/2673-4583/16/1/67 |
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