Interaction

curated

Interaction Scheme

Molecule

Untitled
Hamamelitannin

c = 500.0 µM

Host

Heptakis o %282 hydroxypropyl%29 beta cyclodextrin
heptakis-O-(2-hydroxypropyl)-β Cyclodextrin

c = 15000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.61⋅104 ± 2200.0 M-1
Kd =
logKa = 4.21 ± 0.06
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -24.01 ± 0.34 -5.74 ± 0.08
ΔH = -0.38 ± 0.04 -0.09 ± 0.01
-TΔS = -25.6 ± 3.7 -6.12 ± 0.88
J mol-1 K-1 cal mol-1 K-1
ΔS = 85.9 ± 12.4 20.5 ± 3.0
Comment
One-site binding model (HPβCD1:HAM1)
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 VP-ITC
VCell = 1400.0 𝜇L
VSyringe = 350.0 𝜇L
Molecule: syringe
Partner: cell
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

G. Brackman, J. Lenoir, L. De Meyer, T. De Beer, A. Concheiro, T. Coenye, M. J. Garcia‐Fernandez, J. Remon, C. Alvarez‐Lorenzo, SupraBank 2024, Dressings Loaded with Cyclodextrin–Hamamelitannin Complexes Increase Staphylococcus aureus Susceptibility Toward Antibiotics Both in Single as well as in Mixed Biofilm Communities (dataset). https://doi.org/10.34804/supra.20240328543

Link: https://doi.org/10.34804/supra.20240328543
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

G. Brackman, M. J. Garcia-Fernandez, J. Lenoir, L. De Meyer, J.-P. Remon, T. De Beer, A. Concheiro, C. Alvarez-Lorenzo, T. Coenye, Macromol. Biosci. 2016, 16, 859–869.

Link: https://doi.org/10.1002/mabi.201500437
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Hamamelitannin (0.0012422360248447205 M) and heptakis-O-(2-hydroxypropyl)-β Cyclodextrin (0 — 0.002484472049689441 M).