Interaction

curated

Interaction Scheme

Molecule

1 adamantanamine
Amantadine

c = 750.0 µM

Host

Sbe7 beta cd
SBE7-β-CD

c = 0.0 — 10000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.18⋅104 ± 1000.0 M-1
Kd =
logKa = 4.07 ± 0.04
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -23.25 ± 0.21 -5.56 ± 0.05
ΔH = -5.38 -1.29
-TΔS = -17.9 -4.28
J mol-1 K-1 cal mol-1 K-1
ΔS = 60.0 14.3
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 1X PBS pH-7.4
Solvents water
Additives sodium chloride 137.0 mM
Disodium hydrog... 10.0 mM
potassium chloride 2.7 mM
Potassium dihyd... 1.8 mM
Source of Concentration real
Total concentration 151.5 mM
pH 7.4
Please find here information about the dataset this interaction is part of.
Citation:

N. J. Leong, R. J. Prankerd, D. M. Shackleford, M. P. Mcintosh, SupraBank 2024, The Effect of Intravenous Sulfobutylether7-β-Cyclodextrin on the Pharmacokinetics of a Series of Adamantane-Containing Compounds (dataset). https://doi.org/10.34804/supra.20210928225

Link: https://doi.org/10.34804/supra.20210928225
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

N. J. Leong, R. J. Prankerd, D. M. Shackleford, M. P. Mcintosh, Journal of Pharmaceutical Sciences 2015, 104, 1492–1498.

Link: https://doi.org/10.1002/jps.24331%20
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Amantadine (0.0016891891891891893 M) and SBE7-β-CD (0 — 0.0033783783783783786 M).