A supramolecular system that strictly follows the binding mechanism of conformational selection.

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Abstrakt

Tytuł:: A supramolecular system that strictly follows the binding mechanism of conformational selection.
Autorzy:: Yang LP; Shenzhen Grubbs Institute, Department of Chemistry, Guangdong Provincial Key Laboratory of Catalysis and Academy for Advanced Interdisciplinary Studies, Southern University of Science and Technology, Xueyuan Blvd 1088, Shenzhen, 518055, China.
Zhang L; Shenzhen Grubbs Institute, Department of Chemistry, Guangdong Provincial Key Laboratory of Catalysis and Academy for Advanced Interdisciplinary Studies, Southern University of Science and Technology, Xueyuan Blvd 1088, Shenzhen, 518055, China.
Quan M; Shenzhen Grubbs Institute, Department of Chemistry, Guangdong Provincial Key Laboratory of Catalysis and Academy for Advanced Interdisciplinary Studies, Southern University of Science and Technology, Xueyuan Blvd 1088, Shenzhen, 518055, China.
Ward JS; Department of Chemistry, University of Jyvaskyla, P.O. Box 35, FI-40014, Jyväskylä, Finland.
Ma YL; Shenzhen Grubbs Institute, Department of Chemistry, Guangdong Provincial Key Laboratory of Catalysis and Academy for Advanced Interdisciplinary Studies, Southern University of Science and Technology, Xueyuan Blvd 1088, Shenzhen, 518055, China.
Zhou H; Shenzhen Grubbs Institute, Department of Chemistry, Guangdong Provincial Key Laboratory of Catalysis and Academy for Advanced Interdisciplinary Studies, Southern University of Science and Technology, Xueyuan Blvd 1088, Shenzhen, 518055, China.
Rissanen K; Department of Chemistry, University of Jyvaskyla, P.O. Box 35, FI-40014, Jyväskylä, Finland.
Jiang W; Shenzhen Grubbs Institute, Department of Chemistry, Guangdong Provincial Key Laboratory of Catalysis and Academy for Advanced Interdisciplinary Studies, Southern University of Science and Technology, Xueyuan Blvd 1088, Shenzhen, 518055, China. .
Źródło:: Nature communications [Nat Commun] 2020 Jun 02; Vol. 11 (1), pp. 2740. Date of Electronic Publication: 2020 Jun 02.
Typ publikacji:: Journal Article; Research Support, Non-U.S. Gov't
Język:: English
Imprint Name(s):: Original Publication: [London] : Nature Pub. Group
MeSH Terms:: Biophysical Phenomena*
Protein Domains*
Proteins/*metabolism
Heterocyclic Compounds/chemistry ; Heterocyclic Compounds/metabolism ; Kinetics ; Ligands ; Models, Molecular ; Models, Theoretical ; Protein Binding ; Protein Conformation ; Proteins/chemistry ; Thermodynamics
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Substance Nomenclature:: 0 (Heterocyclic Compounds)
0 (Ligands)
0 (Proteins)
0 (macrocycle 1)
Entry Date(s):: Date Created: 20200604 Date Completed: 20200821 Latest Revision: 20210602
Update Code:: 20240104
PubMed Central ID:: PMC7265396
DOI:: 10.1038/s41467-020-16534-9
PMID:: 32488094
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Induced fit and conformational selection are two dominant binding mechanisms in biology. Although induced fit has been widely accepted by supramolecular chemists, conformational selection is rarely studied with synthetic systems. In the present research, we report a macrocyclic host whose binding mechanism is unambiguously assigned to conformational selection. The kinetic and thermodynamic aspects of this system are studied in great detail. It reveals that the kinetic equation commonly used for conformational selection is strictly followed here. In addition, two mathematical models are developed to determine the association constants of the same guest to the two host conformations. A "conformational selectivity factor" is defined to quantify the fidelity of conformational selection. Many details about the kinetic and thermodynamic aspects of conformational selection are revealed by this synthetic system. The conclusion and the mathematical models reported here should be helpful in understanding complex molecular recognition in both biological and synthetic systems.

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