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Sanjata Joshi on Muck Rack

Sanjata Joshi

As seen in: Nature
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Articles

Structure-based macrocyclization of α-ketoamides leads to potent inhibitors of coronaviral and enteroviral proteases

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By Ravi Kumar Akula, Haifa El Kilani, Alina Metzen, Hilal Durmaz, Judith Röske, Daniel L. Hurdiss, Frank Van Kuppeveld, Katharina Rox, Rolf Hilgenfeld, Mark Brönstrup, Sanjata Joshi, Robin Veenstra
| Nature Verified
Abstract Viral proteases represent validated targets for direct-acting antivirals and the treatment of associated infections. In co-crystal structures of Mpro of SARS-CoV-2 with peptidomimetic inhibitors, we noticed a spatial proximity of sidechains filling the S1’ and S2 pockets, as well as those filling S3 and S1 pockets. To enhance molecular rigidity, the proximal residues were conformationally fixed by macrocyclization.
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