Measuring Binding Constants of Cyclodextrin Inclusion Compounds

Landy, David

doi:10.1007/978-3-319-76159-6_5

Cited by 1 publication

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“…The concentration of β-CD in a solution as indicated by Fronza et al and by Guo et al influences the type of the inclusion complex, so that it becomes important to study the variable concentration of host molecules [ 6 , 7 , 8 ]. It will be necessary to confirm the presence of the 2:1 complex or others complexes by Isothermal Titration Calorimetry (ITC) experiments [ 32 ].…”

Section: Resultsmentioning

confidence: 99%

Understanding Surface Interaction and Inclusion Complexes between Piroxicam and Native or Crosslinked β-Cyclodextrins: The Role of Drug Concentration

Raffaini

2020

Molecules

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Drug concentration plays an important role in the interaction with drug carriers affecting the kinetics of release process and toxicology effects. Cyclodextrins (CDs) can solubilize hydrophobic drugs in water enhancing their bioavailability. In this theoretical study based on molecular mechanics and molecular dynamics methods, the interactions between β-cyclodextrin and piroxicam, an important nonsteroidal anti-inflammatory drug, were investigated. At first, both host–guest complexes with native β-CD in the 1:1 and in 2:1 stoichiometry were considered without assuming any initial a priori inclusion: the resulting inclusion complexes were in good agreement with literature NMR data. The interaction between piroxicam and a β-CD nanosponge (NS) was then modeled at different concentrations. Two inclusion mechanisms were found. Moreover, piroxicam can interact with the external NS surface or with its crosslinkers, also forming one nanopore. At larger concentration, a nucleation process of drug aggregation induced by the first layer of adsorbed piroxicam molecules is observed. The flexibility of crosslinked β-CDs, which may be swollen or quite compact, changing the surface area accessible to drug molecules, and the dimension of the aggregate nucleated on the NS surface are important factors possibly affecting the kinetics of release, which shall be theoretically studied in more detail at specific concentrations.

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Section: Resultsmentioning

confidence: 99%

Understanding Surface Interaction and Inclusion Complexes between Piroxicam and Native or Crosslinked β-Cyclodextrins: The Role of Drug Concentration

Raffaini

2020

Molecules

View full text Add to dashboard Cite

show abstract

Measuring Binding Constants of Cyclodextrin Inclusion Compounds

Cited by 1 publication

References 74 publications

Understanding Surface Interaction and Inclusion Complexes between Piroxicam and Native or Crosslinked β-Cyclodextrins: The Role of Drug Concentration

Understanding Surface Interaction and Inclusion Complexes between Piroxicam and Native or Crosslinked β-Cyclodextrins: The Role of Drug Concentration

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