Interaction

curated

Interaction Scheme

Molecule

Coptisine
Coptisine

c = 0.028 µM

Host

Cb7
CB7

c = 0.0 — 0.12 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 5.00⋅108 M-1
Kd =
logKa = 8.7
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -49.65 -11.87
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌em = 527.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

L. Biczok, Z. Miskolczy, G. Lendvay, SupraBank 2024, Substituent effect on the dynamics of the inclusion complex formation between protoberberine alkaloids and cucurbit[7]uril (dataset). https://doi.org/10.34804/supra.20210928143

Link: https://doi.org/10.34804/supra.20210928143
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Z. Miskolczy, L. Biczók, G. Lendvay, Phys. Chem. Chem. Phys. 2018, 20, 15986–15994.

Link: https://doi.org/10.1039/C8CP01845F
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Coptisine (4.0e-08 M) and CB7 (0 — 8.0e-08 M).