Discovery of a Novel and Potent LCK Inhibitor for Leukemia Treatment via Deep Learning and Molecular Docking-Reference-Cited by-同舟云学术

Discovery of a Novel and Potent LCK Inhibitor for Leukemia Treatment via Deep Learning and Molecular Docking

Published:2024-06-07 Issue:12 Volume:64 Page:4835-4849
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Guo Hao¹^ORCID,Shen Zhe-yuan²³,Yuan Yong-yi¹⁴,Chen Rou-fen²³,Yang Jing-yi¹,Liu Xing-chen¹,Zhang Qing¹,Pan Qian-ying¹,Ding Jian-jun⁵,He Xin-jun²,Zhang Qing-nan²,Dong Xiao-wu²³^ORCID,Zhou Ke-shu¹^ORCID

Affiliation:

1. Department of Hematology, The Affiliated Cancer Hospital of Zhengzhou University & Henan Cancer Hospital, Zhengzhou 450008, China

2. Hangzhou Institute of Innovative Medicine, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, China

3. Innovation Institute for Artificial Intelligence in Medicine, Zhejiang University, Hangzhou 310058, China

4. Academy of Medical Sciences, Zhengzhou University, Zhengzhou 450052, China

5. School of Food Science and Technology, Jiangnan University, Wuxi 214122, China

Funder

Natural Science Foundation of Henan Province

China Postdoctoral Science Foundation

National Natural Science Foundation of China

Henan Provincial Medical Science Building Key Program

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c00151

Reference47 articles.

1. T cell receptor (TCR) signaling in health and disease

2. Recent insights of T cell receptor-mediated signaling pathways for T cell activation and development

3. Therapeutic targeting of LCK tyrosine kinase and mTOR signaling in T-cell acute lymphoblastic leukemia

4. Network-based systems pharmacology reveals heterogeneity in LCK and BCL2 signaling and therapeutic sensitivity of T-cell acute lymphoblastic leukemia

5. RNA helicase DHX15 exemplifies a unique dependency in acute leukemia