AXL inhibitors selected by molecular docking: Option for reducing SARS-CoV-2 entry into cells.
| Autor: | Galindo-Hernández O; Facultad de Medicina Mexicali, Universidad Autónoma de Baja, California, BC, México., Vique-Sánchez JL; Facultad de Medicina Mexicali, Universidad Autónoma de Baja, California, BC, México. |
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| Jazyk: | angličtina |
| Zdroj: | Acta pharmaceutica (Zagreb, Croatia) [Acta Pharm] 2022 Apr 13; Vol. 72 (3), pp. 329-343. Date of Electronic Publication: 2022 Apr 13 (Print Publication: 2022). |
| DOI: | 10.2478/acph-2022-0024 |
| Abstrakt: | 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. (© 2022 Octavio Galindo-Hernández et al., published by Sciendo.) |
| Databáze: | MEDLINE |
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