Interaction

curated

Interaction Scheme

Molecule

Memantine
Memantine

c = 0.0 — 1.0 µM

Host

Cb8
CB8

c = 0.32 µM

Indicator

Bc
Berberine chloride

c = 33.7 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 8.32⋅1012 ± 3.83⋅1011 M-1
Kd =
logKa = 12.92 ± 0.02
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -73.75 ± 0.11 -17.63 ± 0.03
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 462.0 nm
𝛌em = 548.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

F. Biedermann, S. Sinn, E. Spuling, S. Braese, SupraBank 2024, Rational design and implementation of a cucurbit[8]uril-based indicator-displacement assay for application in blood serum (dataset). https://doi.org/10.34804/supra.2021092883

Link: https://doi.org/10.34804/supra.2021092883
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

S. Sinn, E. Spuling, S. Bräse, F. Biedermann, Chem. Sci. 2019, 10, 6584–6593.

Link: https://doi.org/10.1039/C9SC00705A
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Memantine (2.404528869234826e-12 M) and CB8 (0 — 4.809057738469652e-12 M).