Interaction

uncurated

Interaction Scheme

Molecule

Untitled
DX

Host

Cb7
CB7

c = 2.07 µM

Indicator

Bc
Berberine chloride

c = 4.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.69⋅107 ± 3.00⋅105 M-1
Kd =
logKa = 7.23 ± 0.01
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -41.26 ± 0.04 -9.86 ± 0.01
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 421.0 nm
𝛌em = 542.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

N. Manoj Kumar, SupraBank 2024, Chemiluminescent Cucurbit[n]uril-Based Chemosensor for the Detection of Drugs in Biofluids (dataset). https://doi.org/10.34804/supra.20220628436

Link: https://doi.org/10.34804/supra.20220628436
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

N. M. Kumar, P. Picchetti, C. Hu, L. M. Grimm, F. Biedermann, ACS Sens. 2022, 7, 2312–2319.

Link: https://doi.org/10.1021/acssensors.2c00934
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of DX (1.1834319526627218e-06 M) and CB7 (0 — 2.3668639053254436e-06 M).