Abstract
Essential oils (EOs) and their compounds have attracted particular attention for their reported beneficial properties, especially their antiviral potential. However, data regarding their anti-SARS-CoV-2 potential are scarce in the literature. Thus, this study aimed to identify the most promising EO compounds against SARS-CoV-2 based on their physicochemical, pharmacokinetic, and toxicity properties. A systematic literature search retrieved 1669 articles; 40 met the eligibility criteria, and 35 were eligible for analysis. These studies resulted in 465 EO compounds evaluated against 11 human and/or SARS-CoV-2 target proteins. Ninety-four EO compounds and seven reference drugs were clustered by the highest predicted binding affinity. Furthermore, 41 EO compounds showed suitable drug-likeness and bioactivity score indices (≥0.67). Among these EO compounds, 15 were considered the most promising against SARS-CoV-2 with the ADME/T index ranging from 0.86 to 0.81. Some plant species were identified as EO potential sources with anti-SARS-CoV-2 activity, such as Melissa officinalis Arcang, Zataria multiflora Boiss, Eugenia brasiliensis Cambess, Zingiber zerumbet Triboun & K.Larsen, Cedrus libani A.Rich, and Vetiveria zizanoides Nash. Our work can help fill the gap in the literature and guide further in vitro and in vivo studies, intending to optimize the finding of effective EOs against COVID-19.
Highlights
The most promising Essential oils (EOs) compounds against SARS-CoV-2 based on binding energy (BE) and docking score (DS) values were identified for further characterization regarding their physicochemical, pharmacokinetic, and toxicity properties
It has been proposed that many EO compounds reach the respiratory tract by inhalation, mainly due to their volatility and successful use in treating other respiratory tract infections
EO compounds against SARS-CoV-2 based on their physicochemical, pharmacokinetic, and toxicity properties
Summary
Essential oils (EOs) are volatile liquids extracted from whole or parts of aromatic plants such as bark, fruits, flowers, and leaves [1]. These compounds have a broad biological spectrum with antimicrobial, antifungal, insecticide, anti-inflammatory, antioxidant, anticarcinogenic, and antiviral actions [2]. Interest in EOs has been increasing in different fields, such as food, pharmaceutical, cosmetic, and medical applications [2,3]. In this way, the biological potential of these compounds can be valuable for combating the COVID-19 pandemic
Sign-in/Register to view highlights & summary Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
