In vitro and in silico Evaluation of ACE2 and LOX Inhibitory Activity of Eucalyptus Essential Oils, 1,8-Cineole, and Citronellal


Sakalli E. A., Terali K., Karadag A. E., Biltekin S. N., Kosar M., DEMİRCİ B., ...More

NATURAL PRODUCT COMMUNICATIONS, vol.17, no.6, 2022 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 17 Issue: 6
  • Publication Date: 2022
  • Doi Number: 10.1177/1934578x221109409
  • Journal Name: NATURAL PRODUCT COMMUNICATIONS
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, CAB Abstracts, EMBASE, Food Science & Technology Abstracts, Veterinary Science Database, Directory of Open Access Journals
  • Keywords: Eucalyptus, essential oil, ACE2, LOX, 1, 8-cineole, citronellal, HERPES-SIMPLEX-VIRUS, CHEMICAL-COMPOSITION, ANTIFUNGAL ACTIVITY, ANTIVIRAL ACTIVITY, MYRTACEAE, GLOBULUS, BACTERIA, LEAVES, PLANTS, L.
  • Istanbul University Affiliated: No

Abstract

Eucalyptus 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 mu g/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.