Assessment of asthma treatment against SARS CoV-2 by using a computer approach
The disease caused by the coronavirus is called COVID-19. The degree of infection varies from one person to another. According to the data collected to date, people with asthma and obesity are over-represented among adults hospitalized for COVID-19. The reason is very simple: COVID-19 is a disease t...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
EDP Sciences
2021-01-01
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| Series: | E3S Web of Conferences |
| Online Access: | https://www.e3s-conferences.org/articles/e3sconf/pdf/2021/95/e3sconf_vigisan_01024.pdf |
| _version_ | 1818826781824647168 |
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| author | Hajji Halima El Khatabi Khalil Zaki Hanane En-nahli Fatima Hajji Lhossain Lakhlifi Tahar Ajana Mohammed Aziz Bouachrine Mohammed |
| author_facet | Hajji Halima El Khatabi Khalil Zaki Hanane En-nahli Fatima Hajji Lhossain Lakhlifi Tahar Ajana Mohammed Aziz Bouachrine Mohammed |
| author_sort | Hajji Halima |
| collection | DOAJ |
| description | The disease caused by the coronavirus is called COVID-19. The degree of infection varies from one person to another. According to the data collected to date, people with asthma and obesity are over-represented among adults hospitalized for COVID-19. The reason is very simple: COVID-19 is a disease that particularly attacks the respiratory system, including the lungs. This pandemic has led us to return to plants. Modern medicine has found its success thanks to traditional medicine, the effectiveness of which comes from medicinal plants. Currently, in China, many people believe in the miraculous power of plants, boosting their immunity to protect against asthma. Therefore, this work aimed to study components of natural origin that have an anti-asthma effect that can be considered as the panacea against Covid-19, by using the most important method, which is molecular docking. In this research, we performed a molecular docking study on molecules naturally occurring molecules based on the recently crystallized SARS CoV-2 protein (pdb code 7C6S). ADMET prediction was performed for the selected inhibitors. The results of molecular docking and ADMET prediction support the potential of the five selected molecules to be further developed as novel inhibitors for the treatment of SARS CoV-2. |
| first_indexed | 2024-12-19T00:33:07Z |
| format | Article |
| id | doaj.art-1c9ff83e14e44d0d952d81a9ac92f329 |
| institution | Directory Open Access Journal |
| issn | 2267-1242 |
| language | English |
| last_indexed | 2024-12-19T00:33:07Z |
| publishDate | 2021-01-01 |
| publisher | EDP Sciences |
| record_format | Article |
| series | E3S Web of Conferences |
| spelling | doaj.art-1c9ff83e14e44d0d952d81a9ac92f3292022-12-21T20:45:00ZengEDP SciencesE3S Web of Conferences2267-12422021-01-013190102410.1051/e3sconf/202131901024e3sconf_vigisan_01024Assessment of asthma treatment against SARS CoV-2 by using a computer approachHajji Halima0El Khatabi Khalil1Zaki Hanane2En-nahli Fatima3Hajji Lhossain4Lakhlifi Tahar5Ajana Mohammed Aziz6Bouachrine Mohammed1Molecular chemistry and Natural Substances Laboratory, Faculty of Science, University Moulay Ismail1Molecular chemistry and Natural Substances Laboratory, Faculty of Science, University Moulay IsmailSuperior School of Technology - Khenifra (EST-Khenifra), University of Sultan My Slimane1Molecular chemistry and Natural Substances Laboratory, Faculty of Science, University Moulay Ismailhealth, environment, and epigenetics research team, Faculty of Science, University Moulay Ismail1Molecular chemistry and Natural Substances Laboratory, Faculty of Science, University Moulay Ismail1Molecular chemistry and Natural Substances Laboratory, Faculty of Science, University Moulay IsmailThe disease caused by the coronavirus is called COVID-19. The degree of infection varies from one person to another. According to the data collected to date, people with asthma and obesity are over-represented among adults hospitalized for COVID-19. The reason is very simple: COVID-19 is a disease that particularly attacks the respiratory system, including the lungs. This pandemic has led us to return to plants. Modern medicine has found its success thanks to traditional medicine, the effectiveness of which comes from medicinal plants. Currently, in China, many people believe in the miraculous power of plants, boosting their immunity to protect against asthma. Therefore, this work aimed to study components of natural origin that have an anti-asthma effect that can be considered as the panacea against Covid-19, by using the most important method, which is molecular docking. In this research, we performed a molecular docking study on molecules naturally occurring molecules based on the recently crystallized SARS CoV-2 protein (pdb code 7C6S). ADMET prediction was performed for the selected inhibitors. The results of molecular docking and ADMET prediction support the potential of the five selected molecules to be further developed as novel inhibitors for the treatment of SARS CoV-2.https://www.e3s-conferences.org/articles/e3sconf/pdf/2021/95/e3sconf_vigisan_01024.pdf |
| spellingShingle | Hajji Halima El Khatabi Khalil Zaki Hanane En-nahli Fatima Hajji Lhossain Lakhlifi Tahar Ajana Mohammed Aziz Bouachrine Mohammed Assessment of asthma treatment against SARS CoV-2 by using a computer approach E3S Web of Conferences |
| title | Assessment of asthma treatment against SARS CoV-2 by using a computer approach |
| title_full | Assessment of asthma treatment against SARS CoV-2 by using a computer approach |
| title_fullStr | Assessment of asthma treatment against SARS CoV-2 by using a computer approach |
| title_full_unstemmed | Assessment of asthma treatment against SARS CoV-2 by using a computer approach |
| title_short | Assessment of asthma treatment against SARS CoV-2 by using a computer approach |
| title_sort | assessment of asthma treatment against sars cov 2 by using a computer approach |
| url | https://www.e3s-conferences.org/articles/e3sconf/pdf/2021/95/e3sconf_vigisan_01024.pdf |
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