Interaction

curated

Interaction Scheme

Molecule

Untitled
warfarin

c = 100.0 µM

Host

Protein
HSA

c = 20.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.41⋅105 M-1
Kd =
logKa = 5.15
T 25.0 °C ≈ 298 K
kin= 670000.0 ± 90000.0 M-1s-1
kout= 4.74168435951875 ± 0.6 s-1
Energy kJ mol-1 kcal mol-1
ΔG = -29.4 -7.03
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 335.0 nm
𝛌em = 410.0 nm
Detailed information about the solvation.
Solvent System Buffer System PBS pH-7.2
Solvents water 100.0 %
Source of Concentration
pH 7.2
Please find here information about the dataset this interaction is part of.
Citation:

Z. Miskolczy, L. Biczok, L. M. Grimm, F. Biedermann, M. Megyesi, S. Sinn, S. Braese, A. Prabodh, SupraBank 2024, Teaching indicators to unravel the kinetic features of host–guest inclusion complexes (dataset). https://doi.org/10.34804/supra.20220717459

Link: https://doi.org/10.34804/supra.20220717459
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. Prabodh, S. Sinn, L. Grimm, Z. Miskolczy, M. Megyesi, L. Biczók, S. Bräse, F. Biedermann, Chem. Commun. 2020, 56, 12327–12330.

Link: https://doi.org/10.1039/D0CC03715J
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of warfarin (0.00014154281670205238 M) and HSA (0 — 0.00028308563340410475 M).