Interaction Scheme
Molecule
Berberine chloride
Host
CB7
c = 14.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.40⋅107 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| kin= | 0.0 | ± | M-1s-1 |
| kout= | ± | s-1 | |
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -42.13 | ± NaN | -10.07 | ± NaN |
| ΔH | = | -38.0 | ± 2.0 | -9.08 | ± 0.48 |
| -TΔS | = | -3.874 | ± 1.192 | -0.93 | ± 0.28 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 13.0 | ± 4.0 | 3.1 | ± 1.0 |
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: | cell | ||
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
Please find here information about the dataset this interaction is part of.
| Citation: |
Z. Miskolczy, L. Biczók, SupraBank 2024, Kinetics and Thermodynamics of Berberine Inclusion in Cucurbit[7]uril (dataset). https://doi.org/10.34804/supra.2021092813 |
| Link: | https://doi.org/10.34804/supra.2021092813 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
Z. Miskolczy, L. Biczók, J. Phys. Chem. B 2014, 118, 2499–2505. |
| Link: | https://doi.org/10.1021/jp500603g |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Berberine chloride (8.333333333333333e-07 M) and CB7 (0 — 1.6666666666666667e-06 M).
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