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Related Experiment Video

Updated: Aug 25, 2025

Creating Highly Specific Chemically Induced Protein Dimerization Systems by Stepwise Phage Selection of a Combinatorial Single-Domain Antibody Library

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Ultra-Tight Host-Guest Binding with Exceptionally Strong Positive Cooperativity.

Thomas A Sobiech¹, Yulong Zhong¹, Daniel P Miller²

¹Department of Chemistry, University at Buffalo, The State University of New York, Buffalo, NY 14260, USA.

Angewandte Chemie (International Ed. in English)

|October 19, 2022

Summary

This study demonstrates a novel macrocycle host-guest system exhibiting exceptionally strong positive cooperativity. This supramolecular system achieves high binding affinities, offering a tunable platform for molecular interactions and assembly.

Keywords:

Cooperativity Host-Guest Complexes Macrocycles Molecular Recognition Self-Assembly

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Bio-layer Interferometry for Measuring Kinetics of Protein-protein Interactions and Allosteric Ligand Effects

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Published on: February 18, 2014

Area of Science:

Supramolecular Chemistry
Host-Guest Chemistry
Organic Chemistry

Background:

Cooperativity is crucial for molecular recognition and self-assembly processes.
Synthetic host-guest systems are vital for understanding molecular interactions.
Macrocyclic compounds offer unique binding capabilities.

Purpose of the Study:

To investigate the binding behavior of a rigid aromatic oligoamide macrocycle with DABCO-based cationic guests.
To quantify the cooperativity and affinity in this host-guest system.
To explore the potential of this system for studying molecular interactions and supramolecular assembly.

Main Methods:

Isothermal titration calorimetry (ITC) for binding affinity and cooperativity.
Mass spectrometry and Nuclear Magnetic Resonance (NMR) for corroboration.
Computational studies to elucidate binding mechanisms.

Main Results:

A 2:1 host-guest complex formed with high affinities (Ktotal ≈ 10^13 M^-2) in DMF.
Exceptionally strong positive cooperativity was observed, with large interaction factors.
Guest-induced macrocycle stacking and stabilization by guest alkyl chains were identified as key drivers.

Conclusions:

The studied host-guest system exhibits extraordinary positive cooperativity, leading to tight binding.
This system serves as a tunable platform for fundamental studies of molecular interactions.
The findings enable the construction of stable supramolecular assemblies.