Interaction

uncurated

Interaction Scheme

Molecule

Untitled
APP+

c = 50.0 µM

Host

Cb7
CB7

c ≈ 0.0 — 83.33 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.10⋅104 ± 2000.0 M-1
Kd =
logKa = 4.04 ± 0.08
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -23.07 ± 0.46 -5.51 ± 0.11
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Instrument: MicroCal PEAQ-ITC
VCell = 200.0 𝜇L
VSyringe = 40.0 𝜇L
cmolecule = 50.0 𝜇M    cell
cpartner = 500.0 𝜇M    syringe
Detailed information about the solvation.
Solvent System Buffer System 10 mM PBS
Source of Concentration
Please find here information about the dataset this interaction is part of.
Citation:

S. Almendras, A. M. Zárate, L. Dinamarca-Villarroel, D. Guerra, D. Fuentealba, J. M. Eltit, M. E. Aliaga, A. Fierro, E. Perez, SupraBank 2024, Host–guest complexation of APP+ with cucurbit[7]uril. Theoretical and experimental studies on the supramolecular inhibition of its cytotoxicity on SERT (dataset). https://doi.org/10.34804/supra.20240828586

Link: https://doi.org/10.34804/supra.20240828586
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

S. Almendras, A. M. Zárate, L. Dinamarca-Villarroel, D. Guerra, D. Fuentealba, J. M. Eltit, M. E. Aliaga, A. Fierro, E. G. Pérez, New J. Chem. 2022, 46, 15732–15739.

Link: https://doi.org/10.1039/D2NJ01963A
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of APP+ (0.0018181818181818182 M) and CB7 (0 — 0.0036363636363636364 M).