| Title | Precise Recognition in Water by an Endo-Functionalized Cavity: Tuning the Complementarity of Binding Sites |
| Author | |
| Corresponding Author | Schreckenbach, Georg; Yang, Liu-Pan; Wang, Li-Li |
| Publication Years | 2023-10-01
|
| DOI | |
| Source Title | |
| ISSN | 1433-7851
|
| EISSN | 1521-3773
|
| Abstract | Precise binding towards structurally similar substrates is a common feature of biomolecular recognition. However, achieving such selectivity-especially in distinguishing subtle differences in substrates-with synthetic hosts can be quite challenging. Herein, we report a novel design strategy involving the combination of different rigid skeletons to adjust the distance between recognition sites within the cavity, which allows for the highly selective recognition of hydrogen-bonding complementary substrates, such as 4-chromanone. X-ray single-crystal structures and density functional theory calculations confirmed that the distance of endo-functionalized groups within the rigid cavity is crucial for achieving high binding selectivity through hydrogen bonding. The thermodynamic data and molecular dynamics simulations revealed a significant influence of the hydrophobic cavity on the binding affinity. The new receptor possesses both high selectivity and high affinity, which provide valuable insights for the design of customized receptors. |
| Keywords | |
| URL | [Source Record] |
| Indexed By | |
| Language | English
|
| Important Publications | NI Journal Papers
|
| SUSTech Authorship | First
|
| Funding Project | In memory of Wei Jiang (deceased, 2022.12). This research was financially supported by the National Natural Science Foundation of China (22174059), and the Department of Education of Guangdong Province (2020ZDZX2060). We are grateful to the technical suppo[2022.12]
; National Natural Science Foundation of China[22174059]
; Department of Education of Guangdong Province[2020ZDZX2060]
|
| WOS Research Area | Chemistry
|
| WOS Subject | Chemistry, Multidisciplinary
|
| WOS Accession No | WOS:001085599900001
|
| Publisher | |
| ESI Research Field | CHEMISTRY
|
| Data Source | Web of Science
|
| Citation statistics | |
| Document Type | Journal Article |
| Identifier | http://kc.sustech.edu.cn/handle/2SGJ60CL/582875 |
| Department | Department of Chemistry |
| Affiliation | 1.Southern Univ Sci & Technol, Dept Chem, Xueyuan Blvd 1088, Shenzhen 518055, Peoples R China 2.Univ South China, Sch Pharmaceut Sci, Hengyang Med Sch, Hengyang 421001, Hunan, Peoples R China 3.Univ Manitoba, Dept Chem, Winnipeg, MB R3T 2N2, Canada |
| First Author Affilication | Department of Chemistry |
| First Author's First Affilication | Department of Chemistry |
| Recommended Citation GB/T 7714 |
Wang, Yan-Fang,Wang, Song-Meng,Zhang, Xiaobin,et al. Precise Recognition in Water by an Endo-Functionalized Cavity: Tuning the Complementarity of Binding Sites[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,2023.
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| APA |
Wang, Yan-Fang.,Wang, Song-Meng.,Zhang, Xiaobin.,Nian, Hao.,Zheng, Li-Shuo.,...&Wang, Li-Li.(2023).Precise Recognition in Water by an Endo-Functionalized Cavity: Tuning the Complementarity of Binding Sites.ANGEWANDTE CHEMIE-INTERNATIONAL EDITION.
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| MLA |
Wang, Yan-Fang,et al."Precise Recognition in Water by an Endo-Functionalized Cavity: Tuning the Complementarity of Binding Sites".ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2023).
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