Interaction

curated

Interaction Scheme

Molecule

Acridine %28protonated%29
Acridine (protonated)

c = 5.7 µM

Host

Cb8
CB8

c = 0.0 — 66.0 µM

Cofactor

Acridine %28protonated%29
Acridine (protonated)

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 5.20⋅109 ± 8.00⋅108 M-1
Kd =
logKa = 9.72 ± 0.07
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -55.46 ± 0.38 -13.26 ± 0.09
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Fluorescence
𝛌ex = 355.0 nm
𝛌em = 477.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
Additives hydrochloric acid
pH 3.5
Please find here information about the dataset this interaction is part of.
Citation:

A. Bhasikuttan, J. Mohanty, R. Khurana, N. Barooah, SupraBank 2024, Modulation in the acidity constant of acridine dye with cucurbiturils: stimuli-responsive pKa tuning and dye relocation into live cells (dataset). https://doi.org/10.34804/supra.20210928206

Link: https://doi.org/10.34804/supra.20210928206
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

R. Khurana, N. Barooah, A. C. Bhasikuttan, J. Mohanty, Org. Biomol. Chem. 2017, 15, 8448–8457.

Link: https://doi.org/10.1039/C7OB02135F
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Acridine (protonated) (3.846153846153846e-09 M) and CB8 (0 — 7.692307692307693e-09 M).