Interaction

curated

Interaction Scheme

Molecule

Thiabendazole
Thiabendazole

Host

Cb7
CB7

c = 0.0 — 4200.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 150.0 ± 25.0 M-1
Kd =
logKa = 2.18 ± 0.07
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -12.42 ± 0.42 -2.97 ± 0.1
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Absorbance
𝛌abs = 298.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
Additives Sodium hydroxide
pH 10.5
Please find here information about the dataset this interaction is part of.
Citation:

W. M. Nau, I. Ghosh, A. L. Koner, N. Saleh, SupraBank 2024, Supramolecular encapsulation of benzimidazole-derived drugs by cucurbit[7]uril (dataset). https://doi.org/10.34804/supra.20210928254

Link: https://doi.org/10.34804/supra.20210928254
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. L. Koner, I. Ghosh, N. Saleh, W. M. Nau, Can. J. Chem. 2011, 89, 139–147.

Link: https://doi.org/10.1139/V10-079
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Thiabendazole (0.13333333333333333 M) and CB7 (0 — 0.26666666666666666 M).