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. Author manuscript; available in PMC: 2024 Jan 17.
Published in final edited form as: Acc Chem Res. 2022 Dec 29;56(2):157–168. doi: 10.1021/acs.accounts.2c00735

Figure 4.

Figure 4.

Telaprevir- and boceprevir-derived hybrid SARS-CoV-2 Mpro inhibitors UAWJ9-36-1 and UAWJ9-36-3. (A) Superimposed X-ray crystal structures of SARS-CoV-2 Mpro with GC376 and telaprevir (PDBs: 6WTT and 6XQS). (B) Structure-based design of UAWJ9-36-1 as a hybrid of GC376 and telaprevir. (C) X-ray crystal structure of SARS-CoV-2 Mpro with UAWJ9-36-1 (PDB: 7LYH). (D) Superimposed X-ray crystal structures of SARS-CoV-2 Mpro with GC376 and boceprevir (PDBs: 6WTT and 6XQU). (E) Structure-based design of UAWJ9-36-3 as a hybrid of GC376 and boceprevir. (F) X-ray crystal structure of SARS-CoV-2 Mpro with UAWJ9-36-3 (PDB: 7LYI). Figures were adapted with permission from ref (16). Copyright 2022 American Chemical Society.