Prethodno priopćenje

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

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

OCTAVIO GALINDO-HERNÁNDEZ orcid.org/0000-0003-4960-7551 ; Facultad de Medicina Mexicali, Universidad Autónoma de Baja California, BC, México
JOSÉ LUIS VIQUE-SÁNCHEZ orcid.org/0000-0001-8169-3715 ; Facultad de Medicina Mexicali, Universidad Autónoma de Baja California, BC, México

Sažetak

The COVID-19 pandemic is ongoing and the benefit from vaccines is still insufficient; since COVID-19 continues to be diagnosed 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 molecular 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.

Ključne riječi

COVID-19; SARS-CoV-2; AXL ligand; molecular docking; NTD-S1; S protein

Hrčak ID:

265126

URI

https://hrcak.srce.hr/265126

Datum izdavanja:

30.9.2022.

Posjeta: 1.024 *