Multimodal Inclusion Complexes Between Barbiturates and 2‐Hydroxypropyl‐β‐Cyclodextrin in Aqueous Solution: Isothermal Titration Microcalorimetry, 13C NMR Spectrometry, and Molecular Dynamics Simulation

A novel synthetic luteinizing hormone-releasing hormone (LHRH) analogue coupled with modified β-cyclodextrin: Insight into its intramolecular interactions

“…To our knowledge the cavity of β-CD can host only one aromatic ring [46][47][48][49]. In our results the Trp and Tyr protons show inter-segment NOEs of similar intensity.…”

Evaluation of Phenylbutazone and Poly(Amidoamine) Dendrimers Interactions by a Combination of Solubility, 2D-NOESY NMR, and Isothermal Titration Calorimetry Studies

“…The raw experimental data were presented as the total heat generated per second as a function of time and the amount of heat generated per injection was calculated by integration of the area under individual peaks on MicroCal Origin for ITC. After the subtraction of the dilution heat of dendrimer, the experimental data were fitted to a theoretical titration curve,25–30 with calculated enthalpy change (Δ H , kJ/mol), entropy change (Δ S , kJ/mol K), binding affinity ( K a , M −1 ).…”

Sertaconazole/hydroxypropyl-β-cyclodextrin complexation: Isothermal titration calorimetry and solubility approaches

“…6,9,10 The energetics of the interaction of SN with HP-b-CD was evaluated by this technique at pH 1.2, 5.8, and 7.6. The methodology for poorly soluble substances was followed to perform the experiments.…”

“…Previous articles have reported the formation of several types of 1:1 complexes for systems comprising barbiturates or ampicillin and HP-b-CD, due to the inclusion of the drug through different hydrophobic groups into the CD cavity. 10,18,23,24 SN structure contains three rings with potential affinity for the HP-b-CD cavity. At pH 1.2, imidazolyl group is protonized; the chlorobenzothiophene and the 2,4-dichlorophenyl groups being the most likely to enter into the CD cavity (Fig.…”

“…8,9 Isothermal titration microcalorimetry (ITC) is a highly sensitive technique particularly useful for characterizing associative processes in which the energetic changes are quite small. [10][11][12] In the present study, ITC was used to establish the mechanisms of interaction between SN and HP-b-CD in different pH media, and to obtain information about the thermodynamic parameters, the binding constants, the stoichiometry and the possibility of multiple types (structures) of inclusion complexes (Fig. 1).…”