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Determination of Protein-ligand Interactions Using Differential Scanning Fluorimetry

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Regulating Competing Supramolecular Interactions Using Ligand Concentration.

Abraham J P Teunissen, Tim F E Paffen, Gianfranco Ercolani¹

¹Dipartimento di Scienze e Tecnologie Chimiche, Università di Roma Tor Vergata , Via della Ricerca Scientifica, 00133 Roma, Italy.

Journal of the American Chemical Society

|May 11, 2016

Summary

This summary is machine-generated.

Synthetic systems with competing interactions mimic life's adaptivity. Researchers studied a molecule with ureidopyrimidinone (UPy) motifs, controlling cycle formation by adding complementary 2,7-diamido-1,8-naphthyridine (NaPy).

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Area of Science:

Supramolecular Chemistry
Chemical Engineering
Materials Science

Background:

Biomolecular systems exhibit complex, competitive noncovalent interactions that define biological outcomes.
Synthetic supramolecular systems often rely on minimal pathways, limiting adaptability and specific structure selection.
Developing synthetic systems with competing interactions is crucial for creating more adaptive, lifelike artificial systems.

Purpose of the Study:

To investigate the self-assembly behavior of a C2v-symmetrical tritopic molecule featuring ureidopyrimidinone (UPy) motifs.
To explore how competing interactions influence the formation and stability of cyclic structures in synthetic systems.
To examine the effect of adding a complementary 2,7-diamido-1,8-naphthyridine (NaPy) motif on the distribution of self-assembled cycles.

Main Methods:

Synthesis and characterization of a C2v-symmetrical tritopic molecule with three ureidopyrimidinone (UPy) motifs, one with a shorter linker.
Controlled addition of 2,7-diamido-1,8-naphthyridine (NaPy) to a mixture of self-assembled UPy cycles.
Analysis of the resulting cycle distribution and stability under varying NaPy concentrations.

Main Results:

The tritopic UPy molecule self-assembles into two types of cycles with differing stabilities due to linker length variations.
These cycles dimerize intermolecularly via the third UPy motif.
The addition of NaPy allows for the regulation of the cycle ratio, leveraging the C2v-symmetry and subtle binding strength differences.
Achieved near-exclusive formation of one specific cycle type by adjusting NaPy concentration.

Conclusions:

The C2v-symmetrical tritopic UPy system demonstrates a controllable mechanism for regulating self-assembly pathways.
Competing interactions, modulated by external factors like NaPy concentration, can be harnessed to achieve high specificity in synthetic systems.
This work provides a foundation for designing more adaptive and lifelike synthetic supramolecular materials.