Interaction

curated

Interaction Scheme

Molecule

Proflavine
Proflavine

c = 2.7 µM

Host

Cb8
CB8

c = 0.0 — 5.4 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.90⋅107 ± M-1
Kd =
logKa = 7.28 ± 0.0
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -41.55 ± 0.0 -9.93 ± 0.0
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 400.0 nm
𝛌em = 509.0 nm
Ibound⁄Ifree = 0.05
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

S. Kemp, N. J. Wheate, F. H. Stootman, J. R. Aldrich-Wright, SupraBank 2024, The Host-Guest Chemistry of Proflavine with Cucurbit[6,7,8]urils (dataset). https://doi.org/10.34804/supra.20210928124

Link: https://doi.org/10.34804/supra.20210928124
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

S. Kemp, N. J. Wheate, F. H. Stootman, J. R. Aldrich-Wright, Supramolecular Chemistry 2007, 19, 475–484.

Link: https://doi.org/10.1080/10610270601124019
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Proflavine (1.0526315789473683e-06 M) and CB8 (0 — 2.1052631578947366e-06 M).