Interaction

curated

Interaction Scheme

Molecule

Untitled
Melphalan

c = 20.0 µM

Host

Cb7
CB7

c = 0.0 — 45.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.70⋅106 ± 7.00⋅105 M-1
Kd =
logKa = 6.23 ± 0.19
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -35.56 ± 1.09 -8.5 ± 0.26
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 260.0 nm
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
Additives hydrochloric acid 100.0 mM
pH 1.0
Please find here information about the dataset this interaction is part of.
Citation:

G. Villarroel-Lecourt, J. Carrasco-Carvajal, F. Andrade-Villalobos, F. Solís-Egaña, I. Merino-San Martín, J. Robinson-Duggon, D. Fuentealba, SupraBank 2024, Encapsulation of Chemotherapeutic Drug Melphalan in Cucurbit[7]uril: Effects on Its Alkylating Activity, Hydrolysis, and Cytotoxicity (dataset). https://doi.org/10.34804/supra.20210928357

Link: https://doi.org/10.34804/supra.20210928357
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

G. Villarroel-Lecourt, J. Carrasco-Carvajal, F. Andrade-Villalobos, F. Solís-Egaña, I. Merino-San Martín, J. Robinson-Duggon, D. Fuentealba, ACS Omega 2018, 3, 8337–8343.

Link: https://doi.org/10.1021/acsomega.8b01335
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Melphalan (1.1764705882352942e-05 M) and CB7 (0 — 2.3529411764705884e-05 M).