New oxadiazol-5-ones derivatives and their performance as angiotensin-converting enzyme (ACE) inhibitors

Angiotensin-converting enzyme inhibitors are widely used in treating arterial hypertension, acting on the renin-angiotensin-aldosterone system and controlling blood pressure. We present a novel, greener, and faster methodology to assess the 1,2,4-oxadiazol-5-one ring and perform molecular modificati...

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Bibliographic Details
Published inJournal of heterocyclic chemistry Vol. 61; no. 7; pp. 1125 - 1140
Main Authors Ferreira, Larissa Fernanda Lima, Lins, Ilaria Martina Silva, Feitosa, Sidney Gustavo Diniz, Ferreira, Jivaldo Goncalves, Maciel, Larissa Goncalves, Araujo, Alice Valenca, dos Anjos, Janaina Versiani
Format Journal Article
LanguageEnglish
Published HOBOKEN Wiley 01.07.2024
Subjects
Chemistry
Chemistry, Organic
Physical Sciences
Science & Technology
TERMINAL CATALYTIC DOMAIN
BINDING
POTENT
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Summary:Angiotensin-converting enzyme inhibitors are widely used in treating arterial hypertension, acting on the renin-angiotensin-aldosterone system and controlling blood pressure. We present a novel, greener, and faster methodology to assess the 1,2,4-oxadiazol-5-one ring and perform molecular modifications to obtain angiotensin-converting enzyme (ACE) inhibitors using this heterocyclic core. Molecular docking simulations indicate that the tested compounds exhibited an affinity for the ACE binding site, with scores comparable to the commercial inhibitor lisinopril. However, in vitro assays revealed that the compounds were ineffective in inhibiting ACE activity. The lack of inhibition may be related to the compounds' more apolar nature. These results emphasize the importance of integrating computational and experimental approaches in developing new drugs, providing valuable insights for planning future studies to optimize the activity of synthesized compounds.
ISSN:0022-152X
1943-5193
DOI:10.1002/jhet.4835