Interaction Scheme
Molecule
Harmane
c = 9.0 µM
Host
CB7
Cofactor
CB7
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 435.0 | ± 73.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -15.06 | ± 0.42 | -3.6 | ± 0.1 |
| ΔH | = | -3954.0 | ± 644.0 | -945.03 | ± 153.92 |
| -TΔS | = | 3941.0 | 941.92 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -13218.2 | -3159.2 | ||
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Associative Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| cmolecule | = | 9.0 𝜇M cell | |
| cpartner | = | 450.0 𝜇M syringe | |
| Cofactor: | cell | ||
Detailed information about the solvation.
| Solvent System | Buffer System | phosphate buffer |
| Source of Concentration | estimated | |
| pH | 7.2 |
Please find here information about the dataset this interaction is part of.
| Citation: |
S. A. Ahmed, A. Chatterjee, B. Maity, D. Seth, SupraBank 2024, Supramolecular interaction of a cancer cell photosensitizer in the nanocavity of cucurbit[7]uril: A spectroscopic and calorimetric study (dataset). https://doi.org/10.34804/supra.20240327538 |
| Link: | https://doi.org/10.34804/supra.20240327538 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
S. A. Ahmed, A. Chatterjee, B. Maity, D. Seth, International Journal of Pharmaceutics 2015, 492, 103–108. |
| Link: | https://doi.org/10.1016/j.ijpharm.2015.07.016 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Harmane (0.04597701149425287 M) and CB7 (0 — 0.09195402298850575 M).
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