AXL inhibitors selected by molecular docking: Option for reducing SARS-CoV-2 entry into cells.
Acta Pharm
; 72(3): 329-343, 2022 Sep 01.
Article
en En
| MEDLINE
| ID: mdl-36651539
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.
Palabras clave
Texto completo:
1
Base de datos:
MEDLINE
Asunto principal:
SARS-CoV-2
/
COVID-19
Idioma:
En
Revista:
Acta Pharm
Asunto de la revista:
FARMACIA
/
FARMACOLOGIA
Año:
2022
Tipo del documento:
Article