Discovery of Immunoproteasome Inhibitors Using Large-Scale Covalent Virtual Screening

Discovery of Immunoproteasome Inhibitors Using Large-Scale Covalent Virtual Screening

Large-scale virtual screening of boronic acid derivatives was performed to identify nonpeptidic covalent inhibitors of the β5i subunit of the immunoproteasome. A hierarchical virtual screening cascade including noncovalent and covalent docking steps was applied to a virtual library of over...

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Bibliographic Details
Main Authors: Andrea Scarpino, Dávid Bajusz, Matic Proj, Martina Gobec, Izidor Sosič, Stanislav Gobec, György G. Ferenczy, György M. Keserű
Format: Article
Language:English
Published: MDPI AG 2019-07-01
Series:Molecules
Subjects:
immunoproteasome
covalent inhibitor
virtual screening
β5i selective inhibitor
Online Access:https://www.mdpi.com/1420-3049/24/14/2590

Internet

https://www.mdpi.com/1420-3049/24/14/2590

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