the COVID-19 pandemic has highlighted the relevance of proper disinfection procedures and renewed interest in developing novel disinfectant materials as a preventive strategy to limit SARS-CoV-2 contamination. given its widely known antibacterial, antifungal, and antiviral properties, melaleuca alternifolia essential oil, also named tea tree oil (TTO), is recognized as a potential effective and safe natural disinfectant agent. In particular, the proposed antiviral activity of TTO involves the inhibition of viral entry and fusion, interfering with the structural dynamics of the membrane and with the protein envelope components. In this study, for the first time, we demonstrated the virucidal effects of TTO against the feline coronavirus (FCoVII) and the human coronavirus OC43 (HCoV-OC43), both used as surrogate models for SARS-CoV-2. then, to atomistically uncover the possible effects exerted by TTO compounds on the outer surface of the SARS-CoV-2 virion, we performed gaussian accelerated molecular dynamics simulations of a SARS-CoV-2 envelope portion, including a complete model of the spike glycoprotein in the absence or presence of the three main TTO compounds (terpinen-4-ol, γ-terpinene, and 1,8-cineole). the obtained results allowed us to hypothesize the mechanism of action of TTO and its possible use as an anti-coronavirus disinfectant agent.

Romeo, A., Iacovelli, F., Scagnolari, C., Scordio, M., Frasca, F., Condò, R., et al. (2022). Potential Use of Tea Tree Oil as a Disinfectant Agent against Coronaviruses: A Combined Experimental and Simulation Study. MOLECULES, 27(12) [10.3390/molecules27123786].

Potential Use of Tea Tree Oil as a Disinfectant Agent against Coronaviruses: A Combined Experimental and Simulation Study

Romeo, Alice;Iacovelli, Federico;Condò, Roberta;Ammendola, Serena;Gaziano, Roberta;Anselmi, Maurizio;Divizia, Maurizio;Falconi, Mattia
2022-06-12

Abstract

the COVID-19 pandemic has highlighted the relevance of proper disinfection procedures and renewed interest in developing novel disinfectant materials as a preventive strategy to limit SARS-CoV-2 contamination. given its widely known antibacterial, antifungal, and antiviral properties, melaleuca alternifolia essential oil, also named tea tree oil (TTO), is recognized as a potential effective and safe natural disinfectant agent. In particular, the proposed antiviral activity of TTO involves the inhibition of viral entry and fusion, interfering with the structural dynamics of the membrane and with the protein envelope components. In this study, for the first time, we demonstrated the virucidal effects of TTO against the feline coronavirus (FCoVII) and the human coronavirus OC43 (HCoV-OC43), both used as surrogate models for SARS-CoV-2. then, to atomistically uncover the possible effects exerted by TTO compounds on the outer surface of the SARS-CoV-2 virion, we performed gaussian accelerated molecular dynamics simulations of a SARS-CoV-2 envelope portion, including a complete model of the spike glycoprotein in the absence or presence of the three main TTO compounds (terpinen-4-ol, γ-terpinene, and 1,8-cineole). the obtained results allowed us to hypothesize the mechanism of action of TTO and its possible use as an anti-coronavirus disinfectant agent.
12-giu-2022
Pubblicato
Rilevanza internazionale
Articolo
Esperti anonimi
Settore BIO/11 - BIOLOGIA MOLECOLARE
Settore MED/07
Settore MEDS-03/A - Microbiologia e microbiologia clinica
English
GaMD
SARS-CoV-2
coronavirus
disinfectant agent
spike glycoprotein
tea tree oil
Romeo, A., Iacovelli, F., Scagnolari, C., Scordio, M., Frasca, F., Condò, R., et al. (2022). Potential Use of Tea Tree Oil as a Disinfectant Agent against Coronaviruses: A Combined Experimental and Simulation Study. MOLECULES, 27(12) [10.3390/molecules27123786].
Romeo, A; Iacovelli, F; Scagnolari, C; Scordio, M; Frasca, F; Condò, R; Ammendola, S; Gaziano, R; Anselmi, M; Divizia, M; Falconi, M
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2108/302709
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