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http://dspace.nuph.edu.ua/handle/123456789/26715
Полная запись метаданных
Поле DC | Значение | Язык |
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dc.contributor.author | Karpina, V. R. | - |
dc.contributor.author | Kovalenko, S. S. | - |
dc.contributor.author | Kovalenko, S. M. | - |
dc.contributor.author | Georgiyants, V. A. | - |
dc.contributor.author | Langer, T. | - |
dc.contributor.author | Maes, L. | - |
dc.date.accessioned | 2021-12-10T09:51:07Z | - |
dc.date.available | 2021-12-10T09:51:07Z | - |
dc.date.issued | 2020 | - |
dc.identifier.citation | A novel series of [1,2,4]triazolo[4,3-a]pyridine sulfonamides as potential antimalarial agents: In silico studies, synthesis and in vitro evaluation / V. R. Karpina, S. S. Kovalenko, S. M. Kovalenko, V. A. Georgiyants, T. Langer, L. Maes // Molecules. - 2020. - № 25 (19). - Р. 4485. doi : 10.3390 / modules25194485 | uk_UA |
dc.identifier.uri | http://dspace.nuph.edu.ua/handle/123456789/26715 | - |
dc.description.abstract | For the development of new and potent antimalarial drugs, we designed the virtual library with three points of randomization of novel [1,2,4]triazolo[4,3-a]pyridines bearing a sulfonamide fragment. The library of 1561 compounds has been investigated by both virtual screening and molecular docking methods using falcipain-2 as a target enzyme. 25 chosen hits were synthesized and evaluated for their antimalarial activity in vitro against Plasmodium falciparum. 3-Ethyl-N-(3-fluorobenzyl)-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide and 2-(3-chlorobenzyl)-8-(piperidin-1-ylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one showed in vitro good antimalarial activity with inhibitory concentration IC50 = 2.24 and 4.98 µM, respectively. This new series of compounds may serve as a starting point for future antimalarial drug discovery programs. | uk_UA |
dc.language.iso | en | uk_UA |
dc.subject | [1,2,4]triazolo[4,3-a]pyridines | uk_UA |
dc.subject | sulfonamid | uk_UA |
dc.subject | Plasmodium falciparum | uk_UA |
dc.subject | antimalarial | uk_UA |
dc.subject | falcipain-2 | uk_UA |
dc.subject | virtual screening | uk_UA |
dc.subject | molecular docking | uk_UA |
dc.title | A novel series of [1,2,4]triazolo[4,3-a]pyridine sulfonamides as potential antimalarial agents: In silico studies, synthesis and in vitro evaluation | uk_UA |
dc.type | Article | uk_UA |
Располагается в коллекциях: | Наукові публікації кафедри фармацевтичної хімії |
Файлы этого ресурса:
Файл | Описание | Размер | Формат | |
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A Novel Series of [1,2,4]Triazolo[4,3-a]Pyridine.pdf | 5,87 MB | Adobe PDF | Просмотреть/Открыть |
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