Interaction Scheme

Molecule

Bc
Berberine chloride

c = 0.0 — 84.0 µM

Host

Cb8
CB8

c = 21.0 µM

Cofactor

Bc
Berberine chloride

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.90⋅106 ± 3.00⋅105 M-1
Kd =
logKa = 6.28 ± 0.07
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -35.84 ± 0.39 -8.57 ± 0.09
ΔH = -69.0 ± 4.0 -16.49 ± 0.96
-TΔS = 33.0 ± 3.0 7.89 ± 0.72
J mol-1 K-1 cal mol-1 K-1
ΔS = -110.7 ± 10.1 -26.5 ± 2.4
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: cell
Cofactor: cell
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
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Berberine chloride (1.0526315789473684e-05 M) and CB8 (0 — 2.105263157894737e-05 M).