AXL inhibitors selected by molecular docking: Option for reducing SARS-CoV-2 entry into cells
The COVID-19 pandemic is ongoing and the benefit from vaccines is still insufficient since COVID-19 continues to be dia g-nosed in vaccinated individuals. It is, therefore, necessary to propose specific pharmacological treatments against COVID-19. A new therapeutic target on the human cellular membr...
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| Format: | Article |
| Language: | English |
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Sciendo
2022-09-01
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| Series: | Acta Pharmaceutica |
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| Online Access: | https://doi.org/10.2478/acph-2022-0024 |
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| author | Galindo-Hernández Octavio Vique-Sánchez José Luis |
| author_facet | Galindo-Hernández Octavio Vique-Sánchez José Luis |
| author_sort | Galindo-Hernández Octavio |
| collection | DOAJ |
| description | The COVID-19 pandemic is ongoing and the benefit from vaccines is still insufficient since COVID-19 continues to be dia g-nosed in vaccinated individuals. It is, therefore, necessary to propose specific pharmacological treatments against COVID-19. A new therapeutic target on the human cellular membrane is AXL (anexelekto), proposed as an independent pathway by which interaction with the S protein of SARS-CoV-2 allows the virus to enter the cell, without the participation of ACE2. AXL serves as another gate through which SARS-CoV-2 can enter cells. Therefore, any stage of COVID-19 could be ameliorated by hindering the interaction between AXL and SARS-CoV-2. This study proposes ten compounds (1–10), selected by mole-cu lar docking and using a library of nearly 500,000 compounds, to develop a new drug that will decrease the interaction of AXL with the S protein of SARS-CoV-2. These compounds have a specific potential site of interaction with AXL, between Glu59, His61, Glu70 and Ser74 amino acids. This site is necessary for the interaction of AXL with the S protein. With this, we propose to develop a new adjuvant treatment against COVID-19. |
| format | Article |
| id | doaj-art-1e7c865202374ad8bd6fe766271c7581 |
| institution | Kabale University |
| issn | 1846-9558 |
| language | English |
| publishDate | 2022-09-01 |
| publisher | Sciendo |
| record_format | Article |
| series | Acta Pharmaceutica |
| spelling | doaj-art-1e7c865202374ad8bd6fe766271c75812025-02-03T00:33:19ZengSciendoActa Pharmaceutica1846-95582022-09-0172332934310.2478/acph-2022-0024AXL inhibitors selected by molecular docking: Option for reducing SARS-CoV-2 entry into cellsGalindo-Hernández Octavio0Vique-Sánchez José Luis1Facultad de Medicina Mexicali, Universidad Autónoma de Baja, California, BC, MéxicoFacultad de Medicina Mexicali, Universidad Autónoma de Baja, California, BC, MéxicoThe COVID-19 pandemic is ongoing and the benefit from vaccines is still insufficient since COVID-19 continues to be dia g-nosed in vaccinated individuals. It is, therefore, necessary to propose specific pharmacological treatments against COVID-19. A new therapeutic target on the human cellular membrane is AXL (anexelekto), proposed as an independent pathway by which interaction with the S protein of SARS-CoV-2 allows the virus to enter the cell, without the participation of ACE2. AXL serves as another gate through which SARS-CoV-2 can enter cells. Therefore, any stage of COVID-19 could be ameliorated by hindering the interaction between AXL and SARS-CoV-2. This study proposes ten compounds (1–10), selected by mole-cu lar docking and using a library of nearly 500,000 compounds, to develop a new drug that will decrease the interaction of AXL with the S protein of SARS-CoV-2. These compounds have a specific potential site of interaction with AXL, between Glu59, His61, Glu70 and Ser74 amino acids. This site is necessary for the interaction of AXL with the S protein. With this, we propose to develop a new adjuvant treatment against COVID-19.https://doi.org/10.2478/acph-2022-0024covid-19sars-cov-2axl ligandmolecular dockingntd-s1s protein |
| spellingShingle | Galindo-Hernández Octavio Vique-Sánchez José Luis AXL inhibitors selected by molecular docking: Option for reducing SARS-CoV-2 entry into cells Acta Pharmaceutica covid-19 sars-cov-2 axl ligand molecular docking ntd-s1 s protein |
| title | AXL inhibitors selected by molecular docking: Option for reducing SARS-CoV-2 entry into cells |
| title_full | AXL inhibitors selected by molecular docking: Option for reducing SARS-CoV-2 entry into cells |
| title_fullStr | AXL inhibitors selected by molecular docking: Option for reducing SARS-CoV-2 entry into cells |
| title_full_unstemmed | AXL inhibitors selected by molecular docking: Option for reducing SARS-CoV-2 entry into cells |
| title_short | AXL inhibitors selected by molecular docking: Option for reducing SARS-CoV-2 entry into cells |
| title_sort | axl inhibitors selected by molecular docking option for reducing sars cov 2 entry into cells |
| topic | covid-19 sars-cov-2 axl ligand molecular docking ntd-s1 s protein |
| url | https://doi.org/10.2478/acph-2022-0024 |
| work_keys_str_mv | AT galindohernandezoctavio axlinhibitorsselectedbymoleculardockingoptionforreducingsarscov2entryintocells AT viquesanchezjoseluis axlinhibitorsselectedbymoleculardockingoptionforreducingsarscov2entryintocells |