A1 Journal article (refereed)
A supramolecular system that strictly follows the binding mechanism of conformational selection (2020)

Yang, L.-P., Zhang, L., Quan, M., Ward, J. S., Ma, Y.-L., Zhou, H., Rissanen, K., & Jiang, W. (2020). A supramolecular system that strictly follows the binding mechanism of conformational selection. Nature Communications, 11, 2740. https://doi.org/10.1038/s41467-020-16534-9

JYU authors or editors

Publication details

All authors or editors: Yang, Liu-Pan; Zhang, Li; Quan, Mao; Ward, Jas S.; Ma, Yan-Long; Zhou, Hang; Rissanen, Kari; Jiang, Wei

Journal or series: Nature Communications

eISSN: 2041-1723

Publication year: 2020

Volume: 11

Pages range: 2740

Publisher: Nature Publishing Group

Publication country: United Kingdom

Publication language: English

DOI: https://doi.org/10.1038/s41467-020-16534-9

Publication open access: Openly available

Publication channel open access: Open Access channel

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/69697


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.

Keywords: supramolecular chemistry

Free keywords: supramolecular chemistry; conformational selection; mechanisms in biology; molecular recognition; biological systems; synthetic systems

Contributing organizations

Ministry reporting: Yes

Reporting Year: 2020

JUFO rating: 3

Last updated on 2021-07-07 at 21:32