Interaction

curated

Interaction Scheme

Molecule

Untitled
Paracetamol

c = 0.0 — 180.0 µM

Host

Cb8
CB8

c = 33.0 µM

Cofactor

Mdap squared
MDAP

c = 33.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 7000.0 ± 1400.0 M-1
Kd =
logKa = 3.85 ± 0.09
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -21.95 ± 0.5 -5.25 ± 0.12
Comment
guest titrated from 10 mM ethanol solution
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Fluorescence
𝛌ex = 400.0 nm
𝛌em = 450.0 nm
Detailed information about the solvation.
Solvent System Buffer System 10 mM HEPES pH-7.0
Solvents water
Additives Hepes 10.0 mM
Source of Concentration
Total concentration 10.0 mM
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

W. M. Nau, F. Biedermann, A. Hennig, G. Ghale, SupraBank 2024, Fluorescent artificial receptor-based membrane assay (FARMA) for spatiotemporally resolved monitoring of biomembrane permeability (dataset). https://doi.org/10.34804/supra.20220628445

Link: https://doi.org/10.34804/supra.20220628445
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

F. Biedermann, G. Ghale, A. Hennig, W. M. Nau, Commun Biol 2020, 3, DOI 10.1038/s42003-020-1108-9.

Link: https://doi.org/10.1038/s42003-020-1108-9
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Paracetamol (0.002857142857142857 M) and CB8 (0 — 0.005714285714285714 M).