Interaction

curated

Interaction Scheme

Molecule

Trimethylamine n oxide
Trimethylamine N-oxide

c = 0.0 — 2520.0 µM

Host

Gc5a
gCx5-6C

c = 0.8 µM

Indicator

Uranine
Uranine

c = 1.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.61⋅104 ± 400.0 M-1
Kd =
logKa = 4.21 ± 0.01
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -24.01 ± 0.06 -5.74 ± 0.01
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 500.0 nm
𝛌em = 513.0 nm
Detailed information about the solvation.
Solvent System Buffer System 10 mM HEPES pH-7.4
Solvents water 100.0 %
Additives Hepes 10.0 mM
Source of Concentration
Total concentration 10.0 mM
pH 7.4
Please find here information about the dataset this interaction is part of.
Citation:

D. Guo, J. Gao, Z. Zheng, W. Geng, H. Yu, Y. Wang, SupraBank 2025, Facile Fluorescence Monitoring of Gut Microbial Metabolite Trimethylamine N-oxide via Molecular Recognition of Guanidinium-Modified Calixarene (dataset). https://doi.org/10.34804/supra.20210928243

Link: https://doi.org/10.34804/supra.20210928243
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

H. Yu, W.-C. Geng, Z. Zheng, J. Gao, D.-S. Guo, Y. Wang, Theranostics 2019, 9, 4624–4632.

Link: https://doi.org/10.7150/thno.33459
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Trimethylamine N-oxide (0.0012422360248447205 M) and gCx5-6C (0 — 0.002484472049689441 M).