Abstract: |
Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV2), the causative agent
of Coronavirus Disease 2019 (COVID-19), has seriously threatened global health. Alongside the
approved vaccines, the discovery of prospective anti-COVID-19 drugs has been progressively targeted.
Essential oils (EOs) provide a rich source of compounds with valuable antiviral activities that
may contribute as effective agents against COVID-19. In this study, the EO of Agathus robusta
bark was investigated for its chemical composition and its antiviral activity against SARS-CoV2.
Overall, 26 constituents were identified by gas chromatography-mass spectrometry (GC-MS) analysis.
a-Pinene, tricyclene, a-terpineol, limonene, d-camphene, trans-pinocarveol, a-phellandren-8-ol, L-b-
pinene and borneol were the major components. In silico docking of these constituents against viral
key enzymes, spike receptor-binding domain (RBD), main protease (Mpro) and RNA-dependent RNA
polymerase (RdRp), using Molecular Operating Environment (MOE) software revealed good binding
affinities of the components to the active site of the selected targets, especially, the RBD. In Vitro
antiviral MTT and cytopathic effect inhibition assays demonstrated a promising anti SARS-CoV2 for
A. robusta bark EO, with a significant selectivity index of 17.5. The results suggested using this EO or
its individual components for the protection against or treatment of COVID-19.
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