Interaction Scheme

Molecule

Bc
Berberine chloride

c = 3.6 µM

Host

Cb8
CB8

c = 0.0 — 114.0 µM

Cofactor

Bc
Berberine chloride

c = 3.6 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.20⋅106 ± 6.00⋅105 M-1
Kd =
logKa = 6.34 ± 0.12
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -36.2 ± 0.69 -8.65 ± 0.16
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Fluorescence
𝛌ex = 372.0 nm
𝛌em = 535.0 nm
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
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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
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Berberine chloride (9.090909090909091e-06 M) and CB8 (0 — 1.8181818181818182e-05 M).