Comparative Virucidal Activities of Essential Oils and Alcohol-Based Solutions against Enveloped Virus Surrogates: In Vitro and In Silico Analyses
The large-scale use of alcohol (OH)-based disinfectants to control pathogenic viruses is of great concern because of their side effects on humans and harmful impact on the environment. There is an urgent need to develop safe and environmentally friendly disinfectants. Essential oils (EOs) are genera...
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-05-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/28/10/4156 |
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| author | Valentina Parra-Acevedo Raquel E. Ocazionez Elena E. Stashenko Lina Silva-Trujillo Paola Rondón-Villarreal |
| author_facet | Valentina Parra-Acevedo Raquel E. Ocazionez Elena E. Stashenko Lina Silva-Trujillo Paola Rondón-Villarreal |
| author_sort | Valentina Parra-Acevedo |
| collection | DOAJ |
| description | The large-scale use of alcohol (OH)-based disinfectants to control pathogenic viruses is of great concern because of their side effects on humans and harmful impact on the environment. There is an urgent need to develop safe and environmentally friendly disinfectants. Essential oils (EOs) are generally recognized as safe (GRAS) by the FDA, and many exhibit strong antiviral efficacy against pathogenic human enveloped viruses. The present study investigated the virucidal disinfectant activity of solutions containing EO and OH against DENV-2 and CHIKV, which were used as surrogate viruses for human pathogenic enveloped viruses. The quantitative suspension test was used. A solution containing 12% EO + 10% OH reduced > 4.0 log10 TCID<sub>50</sub> (100% reduction) of both viruses within 1 min of exposure. In addition, solutions containing 12% EO and 3% EO without OH reduced > 4.0 log10 TCID<sub>50</sub> of both viruses after 10 min and 30 min of exposure, respectively. The binding affinities of 42 EO compounds and viral envelope proteins were investigated through docking analyses. Sesquiterpene showed the highest binding affinities (from −6.7 to −8.0 kcal/mol) with DENV-2 E and CHIKV E1-E2-E3 proteins. The data provide a first step toward defining the potential of EOs as disinfectants. |
| first_indexed | 2024-03-11T03:27:00Z |
| format | Article |
| id | doaj.art-02a10a96183741e88cf9b4bcd9fc6be0 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-11T03:27:00Z |
| publishDate | 2023-05-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-02a10a96183741e88cf9b4bcd9fc6be02023-11-18T02:40:05ZengMDPI AGMolecules1420-30492023-05-012810415610.3390/molecules28104156Comparative Virucidal Activities of Essential Oils and Alcohol-Based Solutions against Enveloped Virus Surrogates: In Vitro and In Silico AnalysesValentina Parra-Acevedo0Raquel E. Ocazionez1Elena E. Stashenko2Lina Silva-Trujillo3Paola Rondón-Villarreal4Centro de Cromatografía y Espectrometría de Masas—CROM-MASS, Universidad Industrial de Santander, Bucaramanga 680002, ColombiaCentro de Cromatografía y Espectrometría de Masas—CROM-MASS, Universidad Industrial de Santander, Bucaramanga 680002, ColombiaCentro de Cromatografía y Espectrometría de Masas—CROM-MASS, Universidad Industrial de Santander, Bucaramanga 680002, ColombiaCentro de Cromatografía y Espectrometría de Masas—CROM-MASS, Universidad Industrial de Santander, Bucaramanga 680002, ColombiaFacultad de Ciencias Médicas y de la Salud, Instituto de Investigación Masira, Universidad de Santander, Bucaramanga 680003, ColombiaThe large-scale use of alcohol (OH)-based disinfectants to control pathogenic viruses is of great concern because of their side effects on humans and harmful impact on the environment. There is an urgent need to develop safe and environmentally friendly disinfectants. Essential oils (EOs) are generally recognized as safe (GRAS) by the FDA, and many exhibit strong antiviral efficacy against pathogenic human enveloped viruses. The present study investigated the virucidal disinfectant activity of solutions containing EO and OH against DENV-2 and CHIKV, which were used as surrogate viruses for human pathogenic enveloped viruses. The quantitative suspension test was used. A solution containing 12% EO + 10% OH reduced > 4.0 log10 TCID<sub>50</sub> (100% reduction) of both viruses within 1 min of exposure. In addition, solutions containing 12% EO and 3% EO without OH reduced > 4.0 log10 TCID<sub>50</sub> of both viruses after 10 min and 30 min of exposure, respectively. The binding affinities of 42 EO compounds and viral envelope proteins were investigated through docking analyses. Sesquiterpene showed the highest binding affinities (from −6.7 to −8.0 kcal/mol) with DENV-2 E and CHIKV E1-E2-E3 proteins. The data provide a first step toward defining the potential of EOs as disinfectants.https://www.mdpi.com/1420-3049/28/10/4156virucidal activityessential oilsdisinfectantenveloped viruses |
| spellingShingle | Valentina Parra-Acevedo Raquel E. Ocazionez Elena E. Stashenko Lina Silva-Trujillo Paola Rondón-Villarreal Comparative Virucidal Activities of Essential Oils and Alcohol-Based Solutions against Enveloped Virus Surrogates: In Vitro and In Silico Analyses Molecules virucidal activity essential oils disinfectant enveloped viruses |
| title | Comparative Virucidal Activities of Essential Oils and Alcohol-Based Solutions against Enveloped Virus Surrogates: In Vitro and In Silico Analyses |
| title_full | Comparative Virucidal Activities of Essential Oils and Alcohol-Based Solutions against Enveloped Virus Surrogates: In Vitro and In Silico Analyses |
| title_fullStr | Comparative Virucidal Activities of Essential Oils and Alcohol-Based Solutions against Enveloped Virus Surrogates: In Vitro and In Silico Analyses |
| title_full_unstemmed | Comparative Virucidal Activities of Essential Oils and Alcohol-Based Solutions against Enveloped Virus Surrogates: In Vitro and In Silico Analyses |
| title_short | Comparative Virucidal Activities of Essential Oils and Alcohol-Based Solutions against Enveloped Virus Surrogates: In Vitro and In Silico Analyses |
| title_sort | comparative virucidal activities of essential oils and alcohol based solutions against enveloped virus surrogates in vitro and in silico analyses |
| topic | virucidal activity essential oils disinfectant enveloped viruses |
| url | https://www.mdpi.com/1420-3049/28/10/4156 |
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