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Rational Design Strategies in DNA-Encoded Libraries for Drug Discovery

文献类型：期刊论文

作者Wang, Xudong1,2; Li, Linjie3,4,5; Shen, Xuanjing1,2; Lu, Xiaojie1,2
刊名ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
出版日期2025-07-25
页码32
关键词Covalent libraries DNA-encoded libraries Drug discovery Focused libraries Fragment-based libraries
DOI10.1002/anie.202511839
英文摘要DNA-encoded libraries (DELs) have emerged as a powerful and cost-effective platform for high-throughput screening, enabling the rapid identification of small-molecule ligands against a wide range of biological targets. However, traditional DEL approaches often rely on empirical and broad-based library construction, which can lead to low hit rates, off-target interactions, and limited chemical diversity around pharmaceutically relevant motifs. Recent technological advances have sought to address these limitations, shifting DELs from a largely blind screening tool to a more rational and precision-oriented strategy. In this review, we systematically examine the evolution of DEL methodologies, with a particular focus on innovations in library design that enhance hit quality and screening efficiency. Specifically, we highlight the emergence of fragment-based DEL strategies for exploring chemical space with minimal structures, the incorporation of covalent warheads to enable irreversible binding to specific residues, and the development of focused DELs tailored to particular protein families or binding motifs. Together, these advances mark a shift from blind, empirical screening toward a more strategic and hypothesis-driven application of DEL technology.
WOS关键词DYNAMIC COMBINATORIAL CHEMISTRY ; SMALL-MOLECULE LIBRARIES ; CHEMICAL LIBRARIES ; DUAL-DISPLAY ; INHIBITORS ; SELECTION ; AFFINITY ; LIGAND ; PHARMACOPHORE ; POTENT
资助项目National Natural Science Foundation of China[22307128] ; National Natural Science Foundation of China (NSFC)[23HC1401200] ; Shanghai Action Plan for Science, Technology[SIMM0220233001] ; Shanghai Institute of Pharmaceutical Sciences[SKLDR-2022-LH-01] ; State Key Laboratory of Drug Research
WOS研究方向Chemistry
语种英语
WOS记录号WOS:001535030600001
出版者WILEY-V C H VERLAG GMBH
源URL[http://119.78.100.183/handle/2S10ELR8/321099]  
专题国家级研究中心_原创新药研究全国重点实验室
通讯作者Lu, Xiaojie
作者单位1.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, 555 Zuchongzhi Rd, Shanghai 201203, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
3.Sichuan Univ, West China Hosp, Canc Ctr, Chengdu 610041, Peoples R China
4.Sichuan Univ, West China Hosp, State Key Lab Biotherapy, Chengdu 610041, Peoples R China
5.Sichuan Univ, West China Hosp, Lab Human Dis & Immunotherapy, Chengdu 610041, Peoples R China
推荐引用方式
GB/T 7714		 Wang, Xudong,Li, Linjie,Shen, Xuanjing,et al. Rational Design Strategies in DNA-Encoded Libraries for Drug Discovery[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,2025:32.
APA Wang, Xudong,Li, Linjie,Shen, Xuanjing,&Lu, Xiaojie.(2025).Rational Design Strategies in DNA-Encoded Libraries for Drug Discovery.ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,32.
MLA Wang, Xudong,et al."Rational Design Strategies in DNA-Encoded Libraries for Drug Discovery".ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2025):32.

入库方式： OAI收割

来源：上海药物研究所

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