Interaction

curated

Interaction Scheme

Molecule

Sodium cholate
Sodium cholate

c = 100.0 — 520.0 µM

Host

Mono 6%281 hydroxymethylpropylamino%29 6 deoxy%29 beta cd
Mono[6(1-hydroxymethylpropylamino)-6-deoxy)]-β-CD

c = 1990.0 — 4160.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.69⋅104 ± 330.0 M-1
Kd =
logKa = 4.23 ± 0.01
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -24.14 ± 0.05 -5.77 ± 0.01
ΔH = -28.11 ± 0.12 -6.72 ± 0.03
-TΔS = 3.98 0.95
J mol-1 K-1 cal mol-1 K-1
ΔS = -13.3 -3.2
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: cell
Partner: syringe
Detailed information about the solvation.
Solvent System Buffer System 100 mM phosphate pH-7.2
Solvents water
Additives Sodium dihydrog...
Disodium hydrog...
Source of Concentration
Total concentration 100.0 mM
pH 7.2
Please find here information about the dataset this interaction is part of.
Citation:

Y. Liu, L. Wang, H. Zhang, Y. Yang, R. Cao, S. Song, SupraBank 2024, Thermodynamic Origin of Molecular Selective Binding of Bile Salts by Aminated β-Cyclodextrins (dataset). https://doi.org/10.34804/supra.20210928228

Link: https://doi.org/10.34804/supra.20210928228
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Y. Liu, Y.-W. Yang, R. Cao, S.-H. Song, H.-Y. Zhang, L.-H. Wang, J. Phys. Chem. B 2003, 107, 14130–14139.

Link: https://doi.org/10.1021/jp036366q
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Sodium cholate (0.001182033096926714 M) and Mono[6(1-hydroxymethylpropylamino)-6-deoxy)]-β-CD (0 — 0.002364066193853428 M).