Interaction

curated

Interaction Scheme

Molecule

Estradiol
Estradiol

c = 3.9 µM

Host

Cb7
CB7

c = 3.9 µM

Indicator

Bc
Berberine chloride

c = 50.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.78⋅106 M-1
Kd =
logKa = 6.25
T 25.0 °C ≈ 298 K
kin= 43000.0 ± 1000.0 M-1s-1
kout= 0.0241844769403825 ± 0.001 s-1
Energy kJ mol-1 kcal mol-1
ΔG = -35.67 -8.53
Comment
pseudo-first order kinetic guest displacement assay
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 462.0 nm
𝛌em = 550.0 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, L. M. Grimm, F. Biedermann, M. Megyesi, S. Sinn, S. Braese, A. Prabodh, SupraBank 2024, Teaching indicators to unravel the kinetic features of host–guest inclusion complexes (dataset). https://doi.org/10.34804/supra.20220717459

Link: https://doi.org/10.34804/supra.20220717459
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. Prabodh, S. Sinn, L. Grimm, Z. Miskolczy, M. Megyesi, L. Biczók, S. Bräse, F. Biedermann, Chem. Commun. 2020, 56, 12327–12330.

Link: https://doi.org/10.1039/D0CC03715J
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Estradiol (1.124859392575928e-05 M) and CB7 (0 — 2.249718785151856e-05 M).