Interaction

curated

Interaction Scheme

Molecule

Ber
Berberine

c = 0.0 — 5.0 µM

Host

Wnbp
WNBP

c = 1.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.03⋅107 ± 3.20⋅106 M-1
Kd =
logKa = 7.01 ± 0.14
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -40.03 ± 0.8 -9.57 ± 0.19
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 275.0 nm
𝛌em = 410.0 nm
Detailed information about the solvation.
Solvent System Buffer System 10 mM phosphate buffer pH 8
Solvents water
Additives Disodium hydrog...
Sodium hydroxide
Sodium dihydrog...
Source of Concentration
Total concentration 10.0 mM
pH 8.0
Please find here information about the dataset this interaction is part of.
Citation:

M. Dong, W. Qi, G. Sun, K. Xu, Y. Ma, J. Lv, L. Zhao, Z. Zhang, C. Li, SupraBank 2025, Synthesis of a water-soluble naphthalene-based macrocycle and its host–guest properties (dataset). https://doi.org/10.34804/supra.20230818489

Link: https://doi.org/10.34804/supra.20230818489
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

M. Dong, W. Qi, G. Sun, K. Xu, Y. Ma, J.-F. Lv, L. Zhao, Z.-Y. Zhang, C. Li, Org. Biomol. Chem. 2023, DOI 10.1039/d3ob00338h.

Link: https://doi.org/10.1039/d3ob00338h
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Berberine (1.941747572815534e-06 M) and WNBP (0 — 3.883495145631068e-06 M).