In vitro and in silico evaluation of ACE2 and LOX inhibitory activity of origanum essential oils and carvacrol

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dc.authorid0000-0002-3412-0807
dc.authorid0000-0003-1896-2729
dc.contributor.authorDemirci, Fatih
dc.contributor.authorTeralı, Kerem
dc.contributor.authorKaradağ, Ayşe Esra
dc.contributor.authorBiltekin, Sevde Nur
dc.contributor.authorAk Sakallı, Ezgi
dc.contributor.authorDemirci, Betül
dc.contributor.authorKoşar, Müberra
dc.contributor.authorBaşer, Kemal Hüsnü Can
dc.date.accessioned2023-07-24T09:46:57Z
dc.date.available2023-07-24T09:46:57Z
dc.date.issued2023
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.abstractOriganum spp. are used both for culinary purposes and for their biological activities. In this study, commercial Origanum majorana, Origanum minutiflorum, Origanum vulgare, and Origanum onites essential oils and their prominent constituent carvacrol were evaluated for their in vitro and in silico angiotensin-converting enzyme 2 and lipoxygenase enzyme inhibitory potentials. The essential oils were analysed by gas chromatography-flame ionisation detection and gas chromatography-mass spectrometry, where carvacrol was identified as the major component (62?-?81%), confirming the quality. In vitro enzyme inhibition assays were conducted both with the essential oils (20?µg/mL) and with carvacrol (5?µg/mL). The comparative values of angiotensin-converting enzyme 2 percent inhibition for O. majorana, O. minutiflorum, O. vulgare, and O. onites essential oils were determined as 85.5, 79.1, 74.3, and 42.8%, respectively. As a result of the enzyme assays, carvacrol showed 90.7% in vitro angiotensin-converting enzyme 2 inhibitory activity. The in vitro lipoxygenase inhibition of the essential oils (in the same order) was 89.4, 78.9, 81.1, and 73.5%, respectively, where carvacrol showed 74.8% inhibition. In addition, protein-ligand docking and interaction profiling was used to gain structural and mechanistic insights into the angiotensin-converting enzyme 2 and lipoxygenase inhibitory potentials of major Origanum essential oil constituents. The in silico findings agreed with the significant enzyme inhibition activity observed in vitro. Further in vivo studies are suggested to confirm the safety and efficacy of the oils.
dc.identifier.citationDemirci, F., Teralı, K., Karadağ, A. E., Biltekin, S. N., Ak Sakallı, E., Demirci, B. ... Başer, K. H. C. (2023). In vitro and in silico evaluation of ACE2 and LOX inhibitory activity of origanum essential oils and carvacrol. Planta Medica, 89(8), 790-799. https://dx.doi.org/10.1055/a-1828-2479
dc.identifier.doi10.1055/a-1828-2479
dc.identifier.endpage799
dc.identifier.issn0032-0943
dc.identifier.issn1439-0221
dc.identifier.issue8
dc.identifier.pmid35439836
dc.identifier.scopus2-s2.0-85164245571
dc.identifier.scopusqualityQ1
dc.identifier.startpage790
dc.identifier.urihttps://dx.doi.org/10.1055/a-1828-2479
dc.identifier.urihttps://hdl.handle.net/20.500.12511/11241
dc.identifier.volume89
dc.identifier.wos000860857200003en_US
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.institutionauthorKaradağ, Ayşe Esra
dc.institutionauthorBiltekin, Sevde Nur
dc.language.isoen
dc.publisherGeorg Thieme Verlag KG
dc.relation.ispartofPlanta Medicaen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectLamiaceae
dc.subjectOriganum Spp.
dc.subjectEssential Oil
dc.subjectACE2
dc.subjectLOX
dc.subjectCarvacrol
dc.titleIn vitro and in silico evaluation of ACE2 and LOX inhibitory activity of origanum essential oils and carvacrol
dc.typeArticle

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