Article
Combined crystallographic fragment screening and deep mutational scanning enable discovery of Zika virus NS2B-NS3 protease inhibitors.
Nature communications - 8 Oct 2025
Ni Xiaomin, Richardson R Blake, Godoy Andre Schutzer, Ferla Matteo P, Kikawa Caroline, Scheen Jenke, Hannon William W, Capkin Eda, Lahav Noa, Balcomb Blake H, Marples Peter G, Fairhead Michael, Wang SiYi, Williams Eleanor P, Tomlinson Charles W E, Aschenbrenner Jasmin C, Lithgo Ryan M, Winokan Max, Giroud Charline, Dolci Isabela, Fernandes Rafaela Sachetto, Oliva Glaucius, Chandran Anu V, Xavier Mary-Ann, Walsh Martin A, Thompson Warren, Bloom Jesse D, Kenton Nathaniel T, Lee Alpha A, von Delft Annette, Barr Haim, Kirkegaard Karla, Koekemoer Lizbé, Fearon Daren, Evans Matthew J, von Delft Frank
Abstract excerpt
The Zika viral protease NS2B-NS3 is essential for the cleavage of viral polyprotein precursor into individual structural and non-structural (NS) proteins and is therefore an attractive drug target. Generation of a robust crystal system of co-expressed NS2B-NS3 protease has enabled us to perform a crystallographic fragment screening campaign with 1076 fragments. 46 fragments with diverse scaffolds are identified...
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