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Полная запись метаданных
Поле DC | Значение | Язык |
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dc.contributor.author | Severina, H. I. | - |
dc.contributor.author | Skupa, O. O. | - |
dc.contributor.author | Voloshchuk, N. I. | - |
dc.contributor.author | Georgiyants, V. A. | - |
dc.contributor.author | Сєвєріна, Г. І. | - |
dc.contributor.author | Скупа, О. О. | - |
dc.contributor.author | Волощук, Н. І. | - |
dc.contributor.author | Георгіянц, В. А. | - |
dc.contributor.author | Северина, А. И. | - |
dc.contributor.author | Скупая, О. О. | - |
dc.contributor.author | Волощук, Н. И. | - |
dc.contributor.author | Георгиянц, В. А. | - |
dc.date.accessioned | 2021-12-15T12:33:11Z | - |
dc.date.available | 2021-12-15T12:33:11Z | - |
dc.date.issued | 2020 | - |
dc.identifier.citation | Synthesis, docking study, and pharmacological evaluation of S-acetamide derivatives of 4,6-dimethyl-2-thiopyrimidine as anticonvulsant agents / H. I. Severina, O. O. Skupa, N. I. Voloshchuk, V. A. Georgiyants // Journal of Applied Pharmaceutical Science. - 2020. - Vol.10, № 07. - Р. 001-008. doi : 0.7324/JAPS.2020.10701 | uk_UA |
dc.identifier.uri | http://dspace.nuph.edu.ua/handle/123456789/26761 | - |
dc.description.abstract | The aim of this study is the direct synthesis of new (4,6-dimethylpyrimidin-2-yl)thio-N-acetamides derivatives as possible anticonvulsants. The interaction of thiourea with acetylacetone in sodium ethoxide resulted in the scaffold of 4,6-dimethyl-2-thiopyrimidine. Thioacetamide derivatives were synthesized by alkylation of 4,6-dimethyl-2-thiopyrimidine with comparable α-chloroacetamides in the Dimethylformamide (DMF) environment and in the presence of К2 СО3. The methods of 1 H and 13C Nuclear magnetic resonance (NMR) spectroscopy, Liquid chromatography–mass spectrometry (LS/MS), and elemental analysis established the structure of the synthesized compounds. The affinity of the studied compounds with anticonvulsant biotargets— Type-A γ-aminobutyric acid receptor (GABAAR) and the gamma-aminobutyric acid-aminotransferase enzyme—was carried out using the molecular-docking method. The highest affinity was predicted for the compound having 4-bromophenyl substituent: −7.0 (GABAA) and −8.0 (GABAАТ) kcal/mol. Nevertheless, all the studied compounds conceded to the reference ligands—phenobarbital (−7.6 kcal/mol) and vigabatrin (−9.0 kcal/mol). The model of pentylenetetrazole-induced seizures in rats has shown that the studied compounds have moderate anticonvulsant activity. 4-Bromophenyl acetamide has also shown the most pronounced activity: the substance statistically significantly extended the latency period and reduced the duration of seizures by 3.4 and 2.2 times, respectively; moreover, it reduced lethality of the laboratory animals by 80% and by 2.5 times severity of seizures. Correspondence between the docking results and in vivo studies, using PTZ-induced seizures, as well as some parameters of “structure-anticonvulsant activity” correlation, was determined. | uk_UA |
dc.language.iso | en | uk_UA |
dc.subject | 2-thiopyrimidine | uk_UA |
dc.subject | docking | uk_UA |
dc.subject | GABA | uk_UA |
dc.subject | anticonvulsant activity | uk_UA |
dc.subject | 2-тіопіримідин | uk_UA |
dc.subject | стикування | uk_UA |
dc.subject | ГАМК | uk_UA |
dc.subject | протисудомна активність | uk_UA |
dc.subject | 2-тиопиримидин | uk_UA |
dc.subject | стыковка | uk_UA |
dc.subject | противосудорожная активность | uk_UA |
dc.title | Synthesis, docking study, and pharmacological evaluation of S-acetamide derivatives of 4,6-dimethyl-2-thiopyrimidine as anticonvulsant agents | 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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Synthesis, docking study, and pharmacological evaluation of S-acetamide derivatives of 4,6-dimethyl-2-thiopyrimidine as anticonvulsant agents.pdf | 623,8 kB | Adobe PDF | Просмотреть/Открыть |
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