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http://dspace.nuph.edu.ua/handle/123456789/22308
Полная запись метаданных
Поле DC | Значение | Язык |
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dc.contributor.author | Chalenko, N. M. | - |
dc.contributor.author | Syrovaya, A. O. | - |
dc.contributor.author | Kobzar, N. P. | - |
dc.contributor.author | Rakhimova, M. V. | - |
dc.contributor.author | Sych, I. A. | - |
dc.contributor.author | Sych, I. V. | - |
dc.contributor.author | Чаленко, Н. М. | - |
dc.contributor.author | Сирова, Г. О. | - |
dc.contributor.author | Сыровая, А. О. | - |
dc.contributor.author | Кобзар, Н. П. | - |
dc.contributor.author | Рахімова, М. В. | - |
dc.contributor.author | Рахимова, М. В. | - |
dc.contributor.author | Сич, І. А. | - |
dc.contributor.author | Сыч, И. А. | - |
dc.contributor.author | Сыч, И. В. | - |
dc.contributor.author | Сич, І. В. | - |
dc.date.accessioned | 2020-04-24T19:54:58Z | - |
dc.date.available | 2020-04-24T19:54:58Z | - |
dc.date.issued | 2020 | - |
dc.identifier.citation | Prediction of the antiinflammatory activity of new s-alkyl derivatives of 1,2,4-triazol-3-thiones using the PASS computer program and molecular docking / N. M. Chalenko, A. O. Syrovaya, N. P. Kobzar, M. V. Rakhimova, I. A. Sych, I. V. Sych // Borneo Journal of Pharmacy. – 2020. – Vol. 3 (1). – P. 36-43. | uk_UA |
dc.identifier.uri | http://dspace.nuph.edu.ua/handle/123456789/22308 | - |
dc.description.abstract | The strategy of rational approaches to the search for selective COX-2 inhibitors as potential antiinflammatory agents has been proposed and elaborated. It is based on the use of PASS-prediction and molecular docking. The choice of the basic structure of 4-amino-3-thio-1,2,4-triazole as a promising object of chemical modification has been substantiated. Using a modification of the primary molecule, a virtual library of S-derivatives of 5-substituted 4-amino(pyrrol)3-thio-4H1,2,4-triazoles in the amount of 100 compounds (ten groups) has been obtained by introducing various pharmacophore fragments. Based on the analysis of the results of the PASS-prediction and molecular docking, six of the ten planned groups of compounds have been selected for the synthesis as promising selective COX-2 inhibitors. The reliability of the prediction results has already been confirmed for one of the promising group 4-amino-5-(pyridine-4-yl)-1,2,4-triazole (4Н)-3-yl-thioacetamides. | uk_UA |
dc.language.iso | en | uk_UA |
dc.subject | 1,2,4-triazol-3-thiones | uk_UA |
dc.subject | antiinflammatory activity | uk_UA |
dc.subject | COX-2 | uk_UA |
dc.subject | molecular docking | uk_UA |
dc.subject | PASS | uk_UA |
dc.title | Prediction of the antiinflammatory activity of new s-alkyl derivatives of 1,2,4-triazol-3-thiones using the PASS computer program and molecular docking | uk_UA |
dc.type | Article | uk_UA |
Располагается в коллекциях: | Наукові публікації кафедри медичної хiмiї |
Файлы этого ресурса:
Файл | Описание | Размер | Формат | |
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1082-Article Text-4990-2-10-20200312.pdf | 497,63 kB | Adobe PDF | Просмотреть/Открыть |
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