<abstract xmlns="http://www.w3.org/1999/xhtml">

<p>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 (<italic>anexelekto</italic>), 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 (<bold>1–10</bold>), 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.</p>
</abstract>

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.

AXL inhibitors selected by molecular docking: Option for reducing SARS-CoV-2 entry into cells

Acta Pharmaceutica

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

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...

AXL inhibitors selected by molecular docking: Option for reducing SARS-CoV-2 entry into cells

Pubblicato online: 13 apr 2022

Pagine: 329 - 343

Accettato: 18 ott 2021

DOI: https://doi.org/10.2478/acph-2022-0024

Parole chiave
COVID-19, SARS-CoV-2, AXL ligand, molecular docking, NTD-S1, S protein

© 2022 Octavio Galindo-Hernández et al., published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

AXL inhibitors selected by molecular docking: Option for reducing SARS-CoV-2 entry into cells

Pubblicato online: 13 apr 2022

Pagine: 329 - 343

Accettato: 18 ott 2021

DOI: https://doi.org/10.2478/acph-2022-0024

Parole chiaveCOVID-19, SARS-CoV-2, AXL ligand, molecular docking, NTD-S1, S protein

© 2022 Octavio Galindo-Hernández et al., published by Sciendo

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Parole chiave
COVID-19, SARS-CoV-2, AXL ligand, molecular docking, NTD-S1, S protein