Interaction

curated

Interaction Scheme

Molecule

Untitled
doxorubicin

c = 0.0 — 71.8 µM

Host

Cx4 nh2
Cx4-NH2

c = 0.5 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.00⋅104 ± 4000.0 M-1
Kd =
logKa = 4.0 ± 0.18
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -22.83 ± 1.05 -5.46 ± 0.25
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 540.0 nm
𝛌em = 594.0 nm
Detailed information about the solvation.
Solvent System Buffer System 10 mM PBS pH-7.4
Solvents water
Additives sodium chloride 136.99 mM
Disodium hydrog... 6.13 mM
Sodium dihydrog... 5.03 mM
potassium chloride 2.7 mM
Source of Concentration estimated
Total concentration 10.0 mM
pH 7.4
Please find here information about the dataset this interaction is part of.
Citation:

D. Guo, T. Zhang, Z. Zhang, Y. Yue, X. Hu, F. Huang, L. Shi, Y. Liu, SupraBank 2024, A General Hypoxia‐Responsive Molecular Container for Tumor‐Targeted Therapy (dataset). https://doi.org/10.34804/supra.2021092885

Link: https://doi.org/10.34804/supra.2021092885
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

T. X. Zhang, Z. Z. Zhang, Y. X. Yue, X. Y. Hu, F. Huang, L. Shi, Y. Liu, D. S. Guo, Adv. Mater. 2020, 32, 1908435.

Link: https://doi.org/10.1002/adma.201908435
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of doxorubicin (0.002 M) and Cx4-NH2 (0 — 0.004 M).