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aromatherapy_sarscov2_v5.pdf (5.72 MB)

Molecular Docking Studies of Aromatherapy Oils Against SARS-COV-2

submitted on 26.08.2020 and posted on 27.08.2020 by Maurice De Jesus, Jokent Gaza, Hiyas A. Junio, Ricky Nellas
Emerging from Wuhan, China in December 2019, the SARS-CoV-2 virus has spread rapidly, prompting an immediate international response to contain the disease. In this paper, the most abundant volatile compounds in household aromatherapy ointments, namely, methyl salicylate, eucalyptol, α-pinene, menthol, camphor, linalool, and trans-pinocarveol were docked to key structures in SARS-CoV-2 invasion: its spike protein, and the human ACE2 and TMPRSS2 proteins. Based on the molecular docking results, the essential oil compounds methyl salicylate, eucalyptol, and α-pinene exhibit favorable binding to ACE2 and spike proteins. These compounds may be considered for clinical investigation.


Email Address of Submitting Author


Institute of Chemistry, College of Science, University of the Philippines Diliman



ORCID For Submitting Author


Declaration of Conflict of Interest

The authors declare that there is no conflict of interest.


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