ChemRxiv
These are preliminary reports that have not been peer-reviewed. They should not be regarded as conclusive, guide clinical practice/health-related behavior, or be reported in news media as established information. For more information, please see our FAQs.
TMPRSS2 Manuscript.pdf (732.33 kB)
0/0

Potential Compounds for the Inhibition of TMPRSS2

preprint
submitted on 28.07.2020 and posted on 29.07.2020 by Muhammad Roomi, Yaser Khan

The ongoing search to contain and control the spread of COVID-19 disease focuses on discovering drugs or vaccines that can play an essential role in treating this contagious disease. This paper focuses on natural compounds that can play a vital role in the treatment of Covid-19. The study spans over the chemicals that have the potential to bind with the key residues of type II Transmembrane Protease Serine (TMPRSS2). TMPRSS2 can be termed as the catalyst that cleaves the spike glycoproteins of Sars-Cov-2, which causes the replication and spread of virus inside the human body by facilitating virus-cell fusions. Drugs like Camostat Mesylate, Aprotinin, and Rimantadine have been proposed as potential inhibitors of TMPRSS2. After screening large sets of phytochemicals and flavonoids extracted from plants, potential compounds have been tested, and a set of most effective and suitable compounds are chosen for further studies. These selected compounds are further analyzed in terms of binding with key residues as well as high binding affinity with TMPRSS2. The in silico analysis of possible chemical compounds is carried out by using docking, screening analysis, Molecular Dynamics, and Electrostatic Potential Simulations. Chemicals extracted from different plants are comparatively analyzed with drugs like Aprotinin, Camostat Mesylate, and Rimantadine.

History

Email Address of Submitting Author

F2018279051@umt.edu.pk

Institution

University of Management and Technology, Lahore

Country

Pakistan

ORCID For Submitting Author

0000-0003-0253-9547

Declaration of Conflict of Interest

No Conflict of Interest

Version Notes

TMPRSS2 Manuscript (Version 1)

Exports