Interaction Scheme
Molecule
Prednisolone
c = 144.0 µM
Host
CB8
c = 14.5 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.40⋅106 | ± 2.10⋅105 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -35.08 | ± 0.37 | -8.38 | ± 0.09 |
| ΔH | = | -29.9 | ± 2.0 | -7.15 | ± 0.48 |
| -TΔS | = | -5.1 | ± 2.5 | -1.22 | ± 0.6 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 17.1 | ± 8.4 | 4.1 | ± 2.0 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | syringe | ||
| Partner: | syringe | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
Please find here information about the dataset this interaction is part of.
| Citation: |
W. M. Nau, F. Biedermann, K. I. Assaf, A. I. Lazar, A. Hennig, K. R. Mustafina, SupraBank 2024, Nanomolar Binding of Steroids to Cucurbit[n]urils: Selectivity and Applications (dataset). https://doi.org/10.34804/supra.20210928373 |
| Link: | https://doi.org/10.34804/supra.20210928373 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
A. I. Lazar, F. Biedermann, K. R. Mustafina, K. I. Assaf, A. Hennig, W. M. Nau, J. Am. Chem. Soc. 2016, 138, 13022–13029. |
| Link: | https://doi.org/10.1021/jacs.6b07655 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Prednisolone (1.4285714285714285e-05 M) and CB8 (0 — 2.857142857142857e-05 M).
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