Interaction Scheme
Molecule
Berberine chloride
c = 0.0 — 84.0 µM
Host
CB8
c = 21.0 µM
Cofactor
Berberine chloride
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.90⋅106 | ± 3.00⋅105 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -35.84 | ± 0.39 | -8.57 | ± 0.09 |
| ΔH | = | -69.0 | ± 4.0 | -16.49 | ± 0.96 |
| -TΔS | = | 33.0 | ± 3.0 | 7.89 | ± 0.72 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -110.7 | ± 10.1 | -26.5 | ± 2.4 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Associative Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | syringe | ||
| Partner: | cell | ||
| Cofactor: | cell | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
Z. Miskolczy, L. Biczok, SupraBank 2024, Sequential inclusion of two berberine cations in cucurbit[8]uril cavity: kinetic and thermodynamic studies (dataset). https://doi.org/10.34804/supra.202109285 |
| Link: | https://doi.org/10.34804/supra.202109285 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
Z. Miskolczy, L. Biczók, Phys. Chem. Chem. Phys. 2014, 16, 20147–20156. |
| Link: | https://doi.org/10.1039/C4CP02919D |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Berberine chloride (1.0526315789473684e-05 M) and CB8 (0 — 2.105263157894737e-05 M).
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