Interaction

curated

Interaction Scheme

Molecule

Mitoxantrone
Mitoxantrone

c = 14.3 — 15.0 µM

Host

Cb7
CB7

c = 2.0 — 88.0 µM

Binding Properties

𝜈 Molecule 1 : 2 Host
Ka = 2.24⋅105 ± 2.58⋅104 M-2
Kd =
logKa = 5.35 ± 0.05
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -30.54 ± 0.29 -7.3 ± 0.07
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 610.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents hydrochloric acid
water
pH 5.0
Please find here information about the dataset this interaction is part of.
Citation:

A. Buczkowski, P. Tokarz, A. Stepniak, J. Lewkowski, A. Rodacka, B. Palecz, SupraBank 2024, Spectroscopic and calorimetric studies of interactions between mitoxantrone and cucurbituril Q7 in aqueous solutions (dataset). https://doi.org/10.34804/supra.20240314529

Link: https://doi.org/10.34804/supra.20240314529
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. Buczkowski, P. Tokarz, A. Stepniak, J. Lewkowski, A. Rodacka, B. Palecz, Journal of Molecular Liquids 2019, 290, 111190.

Link: https://doi.org/10.1016/j.molliq.2019.111190
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Mitoxantrone (8.932559178204556e-05 M) and CB7 (0 — 0.0001786511835640911 M).