Interaction Scheme

Molecule

Bc
Berberine chloride

Host

Cb7
CB7

c = 14.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.40⋅107 M-1
Kd =
logKa = 7.38 ± NaN
T 25.0 °C 298 K
kin= 0.0 ± M-1s-1
kout= ± s-1
Energy kJ mol-1 kcal mol-1
ΔG = -42.13 ± NaN -10.07 ± NaN
ΔH = -38.0 ± 2.0 -9.08 ± 0.48
-TΔS = -3.874 ± 1.192 -0.93 ± 0.28
J mol-1 K-1 cal mol-1 K-1
ΔS = 13.0 ± 4.0 3.1 ± 1.0
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: cell
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

Z. Miskolczy, L. Biczók, SupraBank 2022, Kinetics and Thermodynamics of Berberine Inclusion in Cucurbit[7]uril (dataset). https://doi.org/10.34804/supra.2021092813

Link: https://doi.org/10.34804/supra.2021092813
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Z. Miskolczy, L. Biczók, J. Phys. Chem. B 2014, 118, 2499–2505.

Link: https://doi.org/10.1021/jp500603g
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Berberine chloride (8.333333333333333e-07 M) and CB7 (0 — 1.6666666666666667e-06 M).