An approach combining deep learning and molecule docking for drug discovery of cathepsin L.

Journal: Expert opinion on drug discovery
Published Date: Mar 1, 2023

Abstract

OBJECTIVES: Cathepsin L (CTSL) is a promising therapeutic target for metabolic disorders and COVID-19. However, there are still no clinically available CTSL inhibitors. Our objective is to develop an approach for the discovery of potential reversible covalent CTSL inhibitors.

Authors

  • Qi Li
    The First Affiliated Hospital of Yangtze University, Jingzhou, Hubei, China.
  • Hao Wang
    Department of Cardiology, Second Medical Center, Chinese PLA General Hospital, Beijing, China.
  • Wei-Li Yang
    Medical Informatics, Kaiser Permanente Southern California, 11975 El Camino Real, Suite 105, San Diego, CA, United States.
  • Jin-Kui Yang
    Department of Endocrinology, Beijing Tongren Hospital, Capital Medical University, Beijing 100730, China.

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