Interaction Scheme

Molecule

Untitled
Oxaliplatin

c = 0.0 — 4500.0 µM

Host

Cb7
CB7

c = 1000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.30⋅105 M-1
Kd =
logKa = 5.36
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -30.6 -7.31
ΔH = -26.36 ± 0.42 -6.3 ± 0.1
-TΔS = -4.11 -0.98
J mol-1 K-1 cal mol-1 K-1
ΔS = 13.8 3.3
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: cell
Detailed information about the solvation.
Solvent System Buffer System Tris pH-7.2
Solvents water
Additives Trometamol
hydrochloric acid
Source of Concentration estimated
Total concentration 1.0 mM
pH 7.2
Please find here information about the dataset this interaction is part of.
Citation:

Y. Jin Jeon, S. Kim, Y. Ho Ko, S. Sakamoto, K. Yamaguchi, K. Kim, SupraBank 2024, Novel molecular drug carrier: encapsulation of oxaliplatin in cucurbit[7]uril and its effects on stability and reactivity of the drug (dataset). https://doi.org/10.34804/supra.2021092861

Link: https://doi.org/10.34804/supra.2021092861
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Y. Jin Jeon, S.-Y. Kim, Y. Ho Ko, S. Sakamoto, K. Yamaguchi, K. Kim, Org. Biomol. Chem. 2005, 3, 2122.

Link: https://doi.org/10.1039/B504487A
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Oxaliplatin (8.695652173913044e-05 M) and CB7 (0 — 0.00017391304347826088 M).