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Discovery of novel DprE1 inhibitors via computational bioactivity fingerprints and structure-based virtual screening

Xue-Ping Hu1,2, Liu Yang1, Xin Chai1

  • 1Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, 310058, China.

Acta Pharmacologica Sinica
|October 20, 2021
PubMed

Keywords:
DprE1covalent inhibitorsmolecular dockingtuberculosisvirtual screening

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