Interaction

curated

Interaction Scheme

Molecule

Untitled
Estrone

Host

Cb8
CB8

c = 20.0 µM

Indicator

Bc
Berberine chloride

c = 45.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.50⋅106 ± 5.00⋅105 M-1
Kd =
logKa = 6.4 ± 0.09
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -36.52 ± 0.5 -8.73 ± 0.12
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 445.0 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:

W. M. Nau, F. Biedermann, K. I. Assaf, A. I. Lazar, A. Hennig, K. R. Mustafina, SupraBank 2024, Nanomolar Binding of Steroids to Cucurbit[n]urils: Selectivity and Applications (dataset). https://doi.org/10.34804/supra.20210928373

Link: https://doi.org/10.34804/supra.20210928373
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. I. Lazar, F. Biedermann, K. R. Mustafina, K. I. Assaf, A. Hennig, W. M. Nau, J. Am. Chem. Soc. 2016, 138, 13022–13029.

Link: https://doi.org/10.1021/jacs.6b07655
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Estrone (8.0e-06 M) and CB8 (0 — 1.6e-05 M).