Interaction

uncurated

Interaction Scheme

Molecule

Harmane
Harmane

Host

Cb7
CB7

c = 0.0 — 107.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.79⋅104 ± 6012.0 M-1
Kd =
logKa = 4.44 ± 0.1
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -25.37 ± 0.54 -6.06 ± 0.13
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 375.0 nm
Detailed information about the solvation.
Solvent System Buffer System phosphate buffer
Source of Concentration estimated
pH 7.2
Please find here information about the dataset this interaction is part of.
Citation:

S. A. Ahmed, A. Chatterjee, B. Maity, D. Seth, SupraBank 2024, Supramolecular interaction of a cancer cell photosensitizer in the nanocavity of cucurbit[7]uril: A spectroscopic and calorimetric study (dataset). https://doi.org/10.34804/supra.20240327538

Link: https://doi.org/10.34804/supra.20240327538
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

S. A. Ahmed, A. Chatterjee, B. Maity, D. Seth, International Journal of Pharmaceutics 2015, 492, 103–108.

Link: https://doi.org/10.1016/j.ijpharm.2015.07.016
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Harmane (0.0007178750897343862 M) and CB7 (0 — 0.0014357501794687725 M).