Interaction

curated

Interaction Scheme

Molecule

Mitoxantrone
Mitoxantrone

c = 5.0 µM

Host

Cb8
CB8

Binding Properties

𝜈 Molecule 2 : 1 Host
Ka = 5.90⋅1010 M-2
Kd =
logKa = 10.77
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -61.48 -14.69
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
𝛌em = 680.0 nm
Detailed information about the solvation.
Solvent System Buffer System 10 mM Tris buffer pH 7.1
Source of Concentration
pH 7.1
Please find here information about the dataset this interaction is part of.
Citation:

A. Day, L. Wallace, J. G. Collins, S. K. Konda, R. Maliki, S. McGrath, B. S. Parker, T. Robinson, A. Spurling, A. Cheong, P. Lock, P. Pigram, D. R. Phillips, S. Cutts, SupraBank 2024, Encapsulation of Mitoxantrone within Cucurbit[8]uril Decreases Toxicity and Enhances Survival in a Mouse Model of Cancer (dataset). https://doi.org/10.34804/supra.20220629446

Link: https://doi.org/10.34804/supra.20220629446
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

S. K. Konda, R. Maliki, S. McGrath, B. S. Parker, T. Robinson, A. Spurling, A. Cheong, P. Lock, P. J. Pigram, D. R. Phillips, et al., ACS Med. Chem. Lett. 2017, 8, 538–542.

Link: https://doi.org/10.1021/acsmedchemlett.7b00090
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Mitoxantrone (3.3898305084745764e-10 M) and CB8 (0 — 6.779661016949153e-10 M).