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The Synthesis and In Silico Antihypertensive Activity Prognosis of New Mannich Bases Containing the 1,2,4-Triazole Moiety

Lina Perekhoda1, Victoriya Georgiyants1, Hanna Yeromina1, Iryna Drapak2, Vira Lubenets3, Zinaida Ieromina1, Irina Sych1, Hanna Severina1, Anatoly Demchenko 4, 5
Affiliation: 
1 National University of Pharmacy, 53, Pushkinska St., Kharkiv, Ukraine 2 Danylo Halytsky Lviv National Medical University, 69, Pekarska St., Lviv, Ukraine 3 Lviv National Polytechnic University, 12, S. Bandery Str., 79013 Lviv, Ukraine 4 Institute of Pharmacology and Toxicology, National Academy of Medical Sciences, 14, Anton Tsedik St., Kyiv, Ukraine 5 Nizhyn Mykola Gogol State University, 2, Grafskaya Str., Nizhyn, Ukraine annerem2012@gmail.com
DOI: 
https://doi.org/10.23939/chcht14.02.214
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Abstract: 
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.
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