Interaction Scheme

Molecule

Bc
Berberine chloride

c = 0.23 µM

Host

Cb7
CB7

c = 0.04 — 1.29 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.35⋅107 ± 7.00⋅106 M-1
Kd =
logKa = 7.37 ± 0.06
T 25.0 °C 298 K
kin= 19000000.0 ± 1000000.0 M-1s-1
kout= 0.810000004263158 ± 0.08 s-1
Energy kJ mol-1 kcal mol-1
ΔG = -42.07 ± 0.31 -10.05 ± 0.07
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 345.0 nm
𝛌em = 500.0 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:

Z. Miskolczy, L. Biczók, SupraBank 2024, 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 (8.52631583434903e-07 M) and CB7 (0 — 1.705263166869806e-06 M).