Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors

Iketani, S.; Forouhar, F.; Liu, H.; Hong, S. J.; Lin, F.-Y.; Nair, M. S.; Zask, A.; Huang, Y.; Xing, L.; Stockwell, B. R.; Chavez, A.; Ho, D. D.

doi:10.1101/2020.08.03.235291

bioRxiv · 10.1101/2020.08.03.235291

Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors

Iketani, S.·Forouhar, F.·Liu, H.·Hong, S. J.·Lin, F.-Y.·Nair, M. S.·Zask, A.·Huang, Y.·Xing, L.·Stockwell, B. R.·Chavez, A.·Ho, D. D.

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Abstract

We report the identification of three structurally diverse compounds - compound 4, GC376, and MAC-5576 - as inhibitors of the SARS-CoV-2 3CL protease. Structures of each of these compounds in complex with the protease revealed strategies for further development, as well as general principles for designing SARS-CoV-2 3CL protease inhibitors. These compounds may therefore serve as leads for the basis of building effective SARS-CoV-2 3CL protease inhibitors.

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Iketani, S., Forouhar, F., Liu, H., Hong, S. J., Lin, F.-Y., Nair, M. S., Zask, A., Huang, Y., Xing, L., Stockwell, B. R., Chavez, A., Ho, D. D.. 2020-08-04. Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors. https://doi.org/10.1101/2020.08.03.235291

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