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SERINE PROTEASE AND SPIKE GLYCOPROTEINS OF SARS-CoV-2.pdf (742.87 kB)
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Repurposed Single Inhibitor for Serine Protease and Spike Glycoproteins of SAR-CoV-2

preprint
submitted on 24.04.2020 and posted on 27.04.2020 by Hamdullah Khadim Sheikh, Tanzila Arshad, Zainab Sher Mohammad, Iqra Arshad, Mohtasheemul Hassan

In this research, structure of SARS-CoV-2 spike glycoprotein S1 and S2 along with TMPRSS2, TMPRSS4, TMPRSS11A, TMPRSS11D and TMPRSS11E serine protease (which activates S1 and S2) are used for docking with repurposed inhibitor drug molecules. We searched for a universally active drug molecule which binds with glycoproteins and serine protease with binding energy above a pre-set threshold value, thus single handedly inhibits the virus glycoprotein interaction with ACE-II receptor on human cell preventing the virus RNA transfer to human cell. Through data analysis performed on binding energies of the selected repurposed inhibitors, we found out five molecules to have high binding energies on both spike glycoproteins and serine protease, while showing less variance in their binding energies. Among these five, Edoxaban is an FDA approved commercially available drug molecule. Hence, high binding molecular inhibitors for spike glycoprotein and serine protease for treatment of SARS-CoV-2 were identified.

History

Email Address of Submitting Author

hamdullah.khadim.sheikh@gmail.com

Institution

University of Karachi

Country

Pakistan

ORCID For Submitting Author

0000-0003-4486-2684

Declaration of Conflict of Interest

None

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