Interaction

curated

Interaction Scheme

Molecule

Valethamate bromide
Valethamate bromide

Host

Beta cd
β-CD

c = 858.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.60⋅104 ± 300.0 M-1
Kd =
logKa = 4.2 ± 0.01
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -24.0 ± 0.05 -5.74 ± 0.01
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Potentiometry
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

N. Takisawa, K. Shirahama, I. Tanaka, SupraBank 2024, Interactions of amphiphilic drugs with?-,?-, and?-cyclodextrins (dataset). https://doi.org/10.34804/supra.2021092846

Link: https://doi.org/10.34804/supra.2021092846
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

N. Takisawa, K. Shirahama, I. Tanaka, Colloid Polym Sci 1993, 271, 499–506.

Link: https://doi.org/10.1007/BF00657395
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Valethamate bromide (0.00125 M) and β-CD (0 — 0.0025 M).