In vitro and in silico evaluation of ACE2 and LOX inhibitory activity of eucalyptus essential oils, 1,8-cineole, and citronellal

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dc.authorid0000-0002-3412-0807
dc.authorid0000-0003-1896-2729
dc.contributor.authorAk Sakallı, Ezgi
dc.contributor.authorTeralı, Kerem
dc.contributor.authorKaradağ, Ayşe Esra
dc.contributor.authorBiltekin, Sevde Nur
dc.contributor.authorKoşar, Müberra
dc.contributor.authorDemirci, Betül
dc.contributor.authorBaşer, Kemal Hüsnü Can
dc.contributor.authorDemirci, Fatih
dc.date.accessioned2022-07-18T09:19:44Z
dc.date.available2022-07-18T09:19:44Z
dc.date.issued2022
dc.departmentİstanbul Medipol Üniversitesi, Eczacılık Fakültesi, Eczacılık Meslek Bilimleri Bölümü, Farmakognozi Ana Bilim Dalı
dc.departmentİstanbul Medipol Üniversitesi, Eczacılık Fakültesi, Temel Eczacılık Bilimleri Bölümü, Farmasötik Mikrobiyoloji Ana Bilim Dalı
dc.description.abstractEucalyptus essential oils are well-known and used especially in upper respiratory tract pathologies or diseases as herbal drug preparations. In the present study, the in vitro angiotensin-converting enzyme 2 (ACE2) and lipoxygenase (LOX) enzyme inhibitory potentials of commercial Eucalyptus globulus Labill. and Eucalyptus citriodora Hook. essential oils were evaluated for their potential anti-coronavirus disease 2019 (COVID-19), and anti-inflammatory effects. In addition, the major components, 1,8-cineole and citronellal, were evaluated for their ability to bind at the active site of either human ACE2 or human 5-LOX using an in silico setting. Before activity evaluation, Eucalyptus globulus and E citriodora essential oils were analysed by GC/FID and GC/MS, where 1,8-cineole (30%), and citronellal (80%) were identified as the major components, respectively. The in vitro ACE2 inhibition was calculated as 94.9% for E globulus, and that of E citriodora essential oil as 83.4%. In vitro LOX inhibition experiments for essential oils in the same order showed inhibitions of 71.3 and 91.4%, respectively, at 20 µg/mL test concentrations in microplate-based fluorometric assays. In addition, protein–ligand docking, and interaction profiling was used to gain structural and mechanistic insights into the in silico ACE2 and LOX inhibitory potentials of the major Eucalyptus essential oil constituents, 1,8-cineole as well as citronellal. The resulting data supported the in vitro findings; however, further in vivo studies are needed to confirm the activity.
dc.description.sponsorshipAnadolu Universityen_US
dc.identifier.citationAk Sakallı, E., Teralı, K., Karadağ, A. E., Biltekin, S. N., Koşar, M., Demirci, B. ... Demirci, F. (2022). In vitro and in silico evaluation of ACE2 and LOX inhibitory activity of eucalyptus essential oils, 1,8-cineole, and citronellal. Natural Product Communications, 17(6). http://doi.org/10.1177/1934578X221109409
dc.identifier.doi10.1177/1934578X221109409
dc.identifier.issn1934-578X
dc.identifier.issn1555-9475
dc.identifier.issue6
dc.identifier.scopus2-s2.0-85133043139
dc.identifier.scopusqualityQ3
dc.identifier.urihttp://doi.org/10.1177/1934578X221109409
dc.identifier.urihttps://hdl.handle.net/20.500.12511/9573
dc.identifier.volume17
dc.identifier.wos000815869900001en_US
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthorKaradağ, Ayşe Esra
dc.institutionauthorBiltekin, Sevde Nur
dc.language.isoen
dc.publisherSAGE Publications Inc.
dc.relation.ispartofNatural Product Communicationsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsAttribution-NonCommercial 4.0 International*
dc.rightsinfo:eu-repo/semantics/openAccess
dc.rights.urihttps://creativecommons.org/licenses/by-nc/4.0/*
dc.subjectEucalyptus
dc.subjectEssential Oil
dc.subjectACE2
dc.subjectLOX
dc.subject1,8-Cineole
dc.subjectCitronellal
dc.titleIn vitro and in silico evaluation of ACE2 and LOX inhibitory activity of eucalyptus essential oils, 1,8-cineole, and citronellal
dc.typeArticle

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