A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease.

ABSTRACT:

Background

The COVID-19 has now been declared a global pandemic by the World Health Organization. There is an emergent need to search for possible medications.

Method

Utilization of the available sequence information, homology modeling, and in slico docking a number of available medications might prove to be effective in inhibiting the SARS-CoV-2 two main drug targets, the spike glycoprotein, and the 3CL protease.

Results

Several compounds were determined from the in silico docking models that might prove to be effective inhibitors for SARS-CoV-2. Several antiviral medications: Zanamivir, Indinavir, Saquinavir, and Remdesivir show potential as and 3CL^PRO main proteinase inhibitors and as a treatment for COVID-19.

Conclusion

Zanamivir, Indinavir, Saqu

SUBMITTER: Hall DC 

PROVIDER: S-EPMC7152904 | biostudies-literature | 2020 May - Jun

REPOSITORIES: biostudies-literature