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A Computational and Chemical Design Strategy for Manipulating Glycan-Protein Recognition

文献类型：期刊论文

作者Zhu, Qiang6,7; Geng, Didi6,7; Li, Jingchao6,7; Zhang, Jinqiu6,7; Sun, Haofan5; Fan, Zhiya5; He, Jiahui6,7; Hao, Ninghui4; Tian, Yinping3; Wen, Liuqing3
刊名ADVANCED SCIENCE
出版日期2024-04-06
页码14
关键词CH-pi interaction glycan-protein recognition glycoproteomics PhoSL core fucose
DOI10.1002/advs.202308522
通讯作者Wang, Yong(yongwang_isb@zju.edu.cn) ; Yi, Wen(wyi@zju.edu.cn)
英文摘要Glycans are complex biomolecules that encode rich information and regulate various biological processes, such as fertilization, host-pathogen binding, and immune recognition, through interactions with glycan-binding proteins. A key driving force for glycan-protein recognition is the interaction between the pi electron density of aromatic amino acid side chains and polarized C & horbar;H groups of the pyranose (termed the CH-pi interaction). However, the relatively weak binding affinity between glycans and proteins has hindered the application of glycan detection and imaging. Here, computational modeling and molecular dynamics simulations are employed to design a chemical strategy that enhances the CH-pi interaction between glycans and proteins by genetically incorporating electron-rich tryptophan derivatives into a lectin PhoSL, which specifically recognizes core fucosylated N-linked glycans. This significantly enhances the binding affinity of PhoSL with the core fucose ligand and enables sensitive detection and imaging of core fucosylated glycans in vitro and in xenograft tumors in mice. Further, the study showed that this strategy is applicable to improve the binding affinity of GafD lectin for N-acetylglucosamine-containing glycans. The approach thus provides a general and effective way to manipulate glycan-protein recognition for glycoscience applications.
WOS关键词MOLECULAR RECOGNITION ; CORE-FUCOSYLATION ; RECEPTOR-BINDING ; STRUCTURAL BASIS ; CARBOHYDRATE ; LECTIN ; OLIGOSACCHARIDES ; GLYCOSYLATION ; IMPUTATION
资助项目National Natural Science Foundation of China[22325704] ; National Natural Science Foundation of China[92353303] ; National Natural Science Foundation of China[32271331] ; National Natural Science Foundation of China[32371300] ; National Natural Science Foundation of China[32201045] ; National Natural Science Foundation of China[32088101] ; National Natural Science Foundation of China (NSFC)[2021YFF1200404] ; National Key R&D Program of China[2020M681837] ; Postdoctoral Science Foundation of China[K20220228] ; Fundamental Research Funds for Central Universities[LZ24C050003] ; Zhejiang Provincial Natural Science Foundation of China ; State Key Lab of CAD&CG, Zhejiang University
WOS研究方向Chemistry ; Science & Technology - Other Topics ; Materials Science
语种英语
WOS记录号WOS:001197991700001
出版者WILEY
源URL[http://119.78.100.183/handle/2S10ELR8/310792]  
专题中国科学院上海药物研究所
通讯作者Wang, Yong; Yi, Wen
作者单位1.Zhejiang Univ, Canc Ctr, Hangzhou 310012, Peoples R China
2.Hong Kong Univ Sci & Technol, Adv Mat Thrust, Funct Hub, Guangzhou 511400, Peoples R China
3.Chinese Acad Sci, Shanghai Inst Mat Med, Carbohydrate Based Drug Res Ctr, Shanghai 201203, Peoples R China
4.Zhejiang Univ, Shanghai Inst Adv Study, Inst Quantitat Biol, Prov Int Sci & Technol Cooperat Base Engn Biol, Int Campus, Haining 314499, Peoples R China
5.Beijing Inst Life, Natl Ctr Prot Sci Beijing, Beijing Proteome Res Ctr, State Key Lab Prote, Beijing 100026, Peoples R China
6.Zhejiang Univ, Coll Life Sci, Dept Biophys, Hangzhou 310012, Peoples R China
7.Zhejiang Univ, Coll Life Sci, Dept Biochem, Hangzhou 310012, Peoples R China
推荐引用方式
GB/T 7714		 Zhu, Qiang,Geng, Didi,Li, Jingchao,et al. A Computational and Chemical Design Strategy for Manipulating Glycan-Protein Recognition[J]. ADVANCED SCIENCE,2024:14.
APA Zhu, Qiang.,Geng, Didi.,Li, Jingchao.,Zhang, Jinqiu.,Sun, Haofan.,...&Yi, Wen.(2024).A Computational and Chemical Design Strategy for Manipulating Glycan-Protein Recognition.ADVANCED SCIENCE,14.
MLA Zhu, Qiang,et al."A Computational and Chemical Design Strategy for Manipulating Glycan-Protein Recognition".ADVANCED SCIENCE (2024):14.

入库方式： OAI收割

来源：上海药物研究所

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