Interaction Scheme
Molecule
methotrexate
Host
Guanidinocalix[5]arene pentadodecyl ether
c = 0.5 µM
Indicator
Fluorescein
c = 0.5 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 7.30⋅105 | ± 4.00⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -33.47 | ± 0.14 | -8.0 | ± 0.03 |
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 | ||
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: |
X. Hu, J. Gao, F. Chen, D. Guo, SupraBank 2024, A host-guest drug delivery nanosystem for supramolecular chemotherapy (dataset). https://doi.org/10.34804/supra.2021092866 |
| Link: | https://doi.org/10.34804/supra.2021092866 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
X.-Y. Hu, J. Gao, F.-Y. Chen, D.-S. Guo, Journal of Controlled Release 2020, 324, 124–133. |
| Link: | https://doi.org/10.1016/j.jconrel.2020.05.008 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of methotrexate (2.7397260273972603e-05 M) and Guanidinocalix[5]arene pentadodecyl ether (0 — 5.479452054794521e-05 M).
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