Please use this identifier to cite or link to this item: http://ena.lp.edu.ua:8080/handle/ntb/55783
Title: The Synthesis and In Silico Antihypertensive Activity Prognosis of New Mannich Bases Containing the 1,2,4-Triazole Moiety
Other Titles: Синтез та in silico прогноз антигіпертензивної активності нових основ Манніха, що містять фрагмент 1,2,4-тріазолу
Authors: Perekhoda, Lina
Georgiyants, Victoria
Yeromina, Hanna
Drapak, Iryna
Lubenets, Vira
Ieromina, Zinaida
Sych, Irina
Severina, Hanna
Demchenko, Anatoly
Affiliation: National University of Pharmacy
Danylo Halytsky Lviv National Medical University
Lviv National Polytechnic University
National Academy of Medical Sciences
Nizhyn Mykola Gogol State University
Bibliographic description (Ukraine): The Synthesis and In Silico Antihypertensive Activity Prognosis of New Mannich Bases Containing the 1,2,4-Triazole Moiety / Lina Perekhoda, Victoria Georgiyants, Hanna Yeromina, Iryna Drapak, Vira Lubenets, Zinaida Ieromina, Irina Sych, Hanna Severina, Anatoly Demchenko // Chemistry & Chemical Technology. — Lviv : Lviv Politechnic Publishing House, 2020. — Vol 14. — No 2. — P. 214–220.
Bibliographic description (International): The Synthesis and In Silico Antihypertensive Activity Prognosis of New Mannich Bases Containing the 1,2,4-Triazole Moiety / Lina Perekhoda, Victoria Georgiyants, Hanna Yeromina, Iryna Drapak, Vira Lubenets, Zinaida Ieromina, Irina Sych, Hanna Severina, Anatoly Demchenko // Chemistry & Chemical Technology. — Lviv : Lviv Politechnic Publishing House, 2020. — Vol 14. — No 2. — P. 214–220.
Is part of: Chemistry & Chemical Technology, 2 (14), 2020
Issue: 2
Volume: 14
Issue Date: 24-Jan-2020
Publisher: Видавництво Львівської політехніки
Lviv Politechnic Publishing House
Place of the edition/event: Львів
Lviv
DOI: doi.org/10.23939/chcht14.02.214
Keywords: основи Манніха
1
2
4-тріазол
синтез
антигіпертензивна активність
прогноз in silico
докінгові дослідження
Mannich bases
1
2
4-triazole
synthesis
antihypertensive activity
in silico prognosis
docking studies
Number of pages: 7
Page range: 214-220
Start page: 214
End page: 220
Abstract: У рамках наших постійних досліджень щодо потенційних антигіпертензивних агентів серед похідних морфоліну та піперидину було розроблено та синтезовано 10 нових цільових сполук, що містять 1,2,4-тріазольний та морфоліновий або піперидиновий фрагменти. Проведені докінгові дослідження з метою пошуку біологічно активних речовин антигіпертензивної дії. Результати in silico досліджень свідчать, що всі синтезовані сполуки є перспективними інгібіторами ангіотензинперетворюючого ферменту і належать до 4 та 5 класів токсичності згідно класифікації OECР.
As a part of our continuous research on potential antihypertensive agents among morpholine and piperidine derivatives, 10 novel target compounds containing 1,2,4-triazole and morpholine or piperidine moieties have been designed and synthesized, and the docking studies have been conducted in order to find biologically active substances with the antihypertensive activity. The in silico studies have shown that all compounds synthesized are promising angiotensin converting enzyme inhibitors and belong to the toxicity class 4 and 5 according to the classification of chemicals by the OECD project.
URI: http://ena.lp.edu.ua:8080/handle/ntb/55783
Copyright owner: © Національний університет “Львівська політехніка”, 2020
© Perekhoda L., Georgiyants V., Yeromina H., Drapak I., Lubenets V., Ieromina Z., Sych I., Severina H., Demchenko A., 2020
URL for reference material: https://doi.org/10.1111/cbdd.12520
https://doi.org/10.3897/pharmacia.66.e35083
https://doi.org/10.5958/0974-360X.2015.00100.6
https://doi.org/10.1002/med.21634
https://doi.org/10.1016/j.ejmech.2019.05.056
https://doi.org/10.1016/j.bmc.2015.09.034
https://doi.org/10.3390/molecules23071559
https://doi.org/10.1016/j.bmc.2013.10.017
https://doi.org/10.2174/092986712803414213
http://accelrys.com/
http://www.way2drug.com/gusar/acutoxpredict.html
https://doi.org/10.5958/0974-360X.2019.00846.1
https://doi.org/10.1074/jbc.M110.167866
https://doi.org/10.1021/ml4004588
http://www.fda.gov/drugs/drugsafety/postmarketdrugsafetyinformati
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[9] Yan X., Wang Z., Qi P. et al.: Eur. J. Med. Chem., 2019, 177, 425. https://doi.org/10.1016/j.ejmech.2019.05.056
[10] Ladopoulou E., Matralis A., Nikitakis A., Kourounakis A.: Bioorg. Med. Chem., 2015, 23, 7015. https://doi.org/10.1016/j.bmc.2015.09.034
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[13] Manjusha R., Begum S., Begum A., Bharathi K.: Asian J. Pharm. Clinical Res., 2018, 11, 66. https://doi.org/10.3390/molecules23071559
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[16] Malani A., Makwana A., Makwana H.: Moroccan J. Chem., 2017, 5, 41.
[17] Liu J., Liu Q., Yang X. et al.: Bioorgan. Med. Chem., 2013, 21, 7742. https://doi.org/10.1016/j.bmc.2013.10.017
[18] Zhou C.-H., Wang Y.: Current Medicinal Chemistry, 2012, 19, 239. https://doi.org/10.2174/092986712803414213
[19] http://accelrys.com/
[20] http://www.way2drug.com/gusar/acutoxpredict.html
[21] Drapak I., Suleiman M., Protopopov M. et al.: Res. J. Pharm. Technol., 2019, 12, 4889. https://doi.org/10.5958/0974-360X.2019.00846.1
[22] Anthony C., Corradi H., Schwager S. et al.: J. Biol. Chem., 2010, 285, 35685. https://doi.org/10.1074/jbc.M110.167866
[23] Kramer G., Mohd A., Schwager S. et al.: ACS Med. Chem. Lett., 2014, 5, 346. https://doi.org/10.1021/ml4004588
[24] http://www.fda.gov/drugs/drugsafety/postmarketdrugsafetyinformati onforpatientsandproviders/ucm102981.htm
References (International): [1] Kang D., Fang Z., Huang B. et al., Chem. Biol. Drug Design, 2015, 86, 568. https://doi.org/10.1111/cbdd.12520
[2] Drapak I., Zimenkovsky B., Perekhoda L. et al., Pharmacia, 2019, 66, 33. https://doi.org/10.3897/pharmacia.66.e35083
[3] Ueda Y., Timothy P., Wang I. et al., Pat. US 8461333 B2, Publ. Jun. 11, 2013.
[4] Yradjan M., Yradjan N., Paronykjan R., Stepanjan H., KhimikoFarmacevt. Zh., 2010, 44, 11.
[5] Klen E., Makarova N., Chalyullyn F. et al., Bashkirsky Khim. Zh., 2008, 15, 112.
[6]Jakhmola V., Jawla S., Mishra R., Acta Sci. Pharm. Sci., 2018, 2, 02.
[7] Al-Ghorbani M., Begum B. et al., J. Chem. Pharm. Res., 2015, 8, 611. https://doi.org/10.5958/0974-360X.2015.00100.6
[8] Kourounakis A., Xanthopoulos D., Tzara A., Med. Res. Rev., 2020, 40, 709. https://doi.org/10.1002/med.21634
[9] Yan X., Wang Z., Qi P. et al., Eur. J. Med. Chem., 2019, 177, 425. https://doi.org/10.1016/j.ejmech.2019.05.056
[10] Ladopoulou E., Matralis A., Nikitakis A., Kourounakis A., Bioorg. Med. Chem., 2015, 23, 7015. https://doi.org/10.1016/j.bmc.2015.09.034
[11] Mytnyk Z., Kolesnyk Ju., Zaporozhsky Med. Zh., 2010, 12, 79.
[12] Bhat M., Al-Omar M., Ghabbour H., Naglah A., Molecules, 2018, 23, 1559. https://doi.org/10.3390/molecules23071559
[13] Manjusha R., Begum S., Begum A., Bharathi K., Asian J. Pharm. Clinical Res., 2018, 11, 66. https://doi.org/10.3390/molecules23071559
[14] Kaplaushenko A., Naukovyi Zh. MOZ Ukrainy, 2013, 3, 152.
[15] Sahu N., Sahu J., Kaushik A., Curr. Res. Pharm. Sci., 2013, 3, 108.
[16] Malani A., Makwana A., Makwana H., Moroccan J. Chem., 2017, 5, 41.
[17] Liu J., Liu Q., Yang X. et al., Bioorgan. Med. Chem., 2013, 21, 7742. https://doi.org/10.1016/j.bmc.2013.10.017
[18] Zhou C.-H., Wang Y., Current Medicinal Chemistry, 2012, 19, 239. https://doi.org/10.2174/092986712803414213
[19] http://accelrys.com/
[20] http://www.way2drug.com/gusar/acutoxpredict.html
[21] Drapak I., Suleiman M., Protopopov M. et al., Res. J. Pharm. Technol., 2019, 12, 4889. https://doi.org/10.5958/0974-360X.2019.00846.1
[22] Anthony C., Corradi H., Schwager S. et al., J. Biol. Chem., 2010, 285, 35685. https://doi.org/10.1074/jbc.M110.167866
[23] Kramer G., Mohd A., Schwager S. et al., ACS Med. Chem. Lett., 2014, 5, 346. https://doi.org/10.1021/ml4004588
[24] http://www.fda.gov/drugs/drugsafety/postmarketdrugsafetyinformati onforpatientsandproviders/ucm102981.htm
Content type: Article
Appears in Collections:Chemistry & Chemical Technology. – 2020. – Vol. 14, No. 2



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