Interaction

curated

Interaction Scheme

Molecule

Untitled
TMPyP4

c = 100.0 µM

Host

Sbe7 beta cd
SBE7-β-CD

c = 0.0 — 120.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 9.80⋅108 ± 1.00⋅105 M-1
Kd =
logKa = 8.99 ± 0.0
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -51.32 ± 0.0 -12.27 ± 0.0
ΔH = 42.67 10.2
-TΔS = -8.368 -2.0
J mol-1 K-1 cal mol-1 K-1
ΔS = 28.1 6.7
Comment
Please check thermodynamic parameters.
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: syringe
Detailed information about the solvation.
Solvent System Buffer System 10 mM phosphate pH-7.4
Solvents water
Source of Concentration
Total concentration 10.0 mM
pH 7.4
Solubility 5.0 mM
Please find here information about the dataset this interaction is part of.
Citation:

J. Mohanty, N. Barooah, A. C. Bhasikuttan, R. Khurana, A. S. Kakatkar, S. Chatterjee, A. Kunwar, SupraBank 2025, Supramolecular Nanorods of (N-Methylpyridyl) Porphyrin With Captisol: Effective Photosensitizer for Anti-bacterial and Anti-tumor Activities (dataset). https://doi.org/10.34804/supra.2021092845

Link: https://doi.org/10.34804/supra.2021092845
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

R. Khurana, A. S. Kakatkar, S. Chatterjee, N. Barooah, A. Kunwar, A. C. Bhasikuttan, J. Mohanty, Front. Chem. 2019, 7, DOI 10.3389/fchem.2019.00452.

Link: https://doi.org/10.3389/fchem.2019.00452
Export: BibTex | RIS | EndNote

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of TMPyP4 (2.0408163265306123e-08 M) and SBE7-β-CD (0 — 4.081632653061225e-08 M).