Cargando…

Inclusion complexes of β-cyclodextrin with tricyclic drugs: an X-ray diffraction, NMR and molecular dynamics study

Tricyclic fused-ring cyclobenzaprine (1) and amitriptyline (2) form 1:1 inclusion complexes with β-cyclodextrin (β-CD) in the solid state and in water solution. Rotating frame NOE experiments (ROESY) showed the same geometry of inclusion for both 1/β-CD and 2/β-CD complexes, with the aromatic ring s...

Descripción completa

Detalles Bibliográficos
Autores principales:	Castiglione, Franca, Ganazzoli, Fabio, Malpezzi, Luciana, Mele, Andrea, Panzeri, Walter, Raffaini, Giuseppina
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Beilstein-Institut 2017
Materias:	Full Research Paper
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5405689/ https://www.ncbi.nlm.nih.gov/pubmed/28503206 http://dx.doi.org/10.3762/bjoc.13.70

Ejemplares similares

Understanding Surface Interaction and Inclusion Complexes between Piroxicam and Native or Crosslinked β-Cyclodextrins: The Role of Drug Concentration †
por: Raffaini, Giuseppina, et al.
Publicado: (2020)

Aggregation behaviour of amphiphilic cyclodextrins: the nucleation stage by atomistic molecular dynamics simulations
por: Raffaini, Giuseppina, et al.
Publicado: (2015)

A Molecular Dynamics Study of a Photodynamic Sensitizer for Cancer Cells: Inclusion Complexes of γ-Cyclodextrins with C(70)
por: Raffaini, Giuseppina, et al.
Publicado: (2019)

Aggregation behavior of amphiphilic cyclodextrins in a nonpolar solvent: evidence of large-scale structures by atomistic molecular dynamics simulations and solution studies
por: Raffaini, Giuseppina, et al.
Publicado: (2016)

Anomalous diffusion of Ibuprofen in cyclodextrin nanosponge hydrogels: an HRMAS NMR study
por: Ferro, Monica, et al.
Publicado: (2014)

Dynamics and interactions of ibuprofen in cyclodextrin nanosponges by solid-state NMR spectroscopy
por: Ferro, Monica, et al.
Publicado: (2017)

Polydisperse methyl β-cyclodextrin–epichlorohydrin polymers: variable contact time (13)C CP-MAS solid-state NMR characterization
por: Mallard, Isabelle, et al.
Publicado: (2015)

Dendrimer Dynamics: A Review of Analytical Theories and Molecular Simulation Methods
por: Ganazzoli, Fabio, et al.
Publicado: (2020)

Investigation of the role of stereoelectronic effects in the conformation of piperidones by NMR spectroscopy and X-ray diffraction
por: Garcias-Morales, Cesar, et al.
Publicado: (2015)

Comprehensive Characterisation of the Ketoprofen-β-Cyclodextrin Inclusion Complex Using X-ray Techniques and NMR Spectroscopy
por: Betlejewska-Kielak, Katarzyna, et al.
Publicado: (2021)

Advancing insights on β-cyclodextrin inclusion complexes with SSRIs through lens of X-ray diffraction and DFT calculation
por: Aree, Thammarat
Publicado: (2021)

Calcium acamprosate: a triclinic polymorph
por: Maccaroni, Elisabetta, et al.
Publicado: (2011)

Synthesis and characterization of a hyper-branched water-soluble β-cyclodextrin polymer
por: Trotta, Francesco, et al.
Publicado: (2014)

NMR Study on the Inclusion Complexes of β-Cyclodextrin with Isoflavones
por: Zhao, Rui, et al.
Publicado: (2016)

Study of Flavonoid/Hydroxypropyl-β-Cyclodextrin Inclusion Complexes by UV-Vis, FT-IR, DSC, and X-Ray Diffraction Analysis
por: Kim, Ji-Sang
Publicado: (2020)

Trihexyphenidyl hydrochloride: a powder diffraction study
por: Maccaroni, Elisabetta, et al.
Publicado: (2010)

Quantum Mechanics Calculations, Basicity and Crystal Structure: The Route to Transition Metal Complexes of Azahelicenes
por: Caronna, Tullio, et al.
Publicado: (2012)

Inclusion complexes of 2-methoxyestradiol with dimethylated and permethylated β-cyclodextrins: models for cyclodextrin–steroid interaction
por: Caira, Mino R, et al.
Publicado: (2015)

Self-Structuring in Water of Polyamidoamino Acids with Hydrophobic Side Chains Deriving from Natural α-Amino Acids
por: Lazzari, Federica, et al.
Publicado: (2018)

Hydrogen Bonding in a l-Glutamine-Based Polyamidoamino Acid and its pH-Dependent Self-Ordered Coil Conformation
por: Lazzari, Federica, et al.
Publicado: (2020)

Synthesis of a library of tricyclic azepinoisoindolinones
por: Miller, Bettina, et al.
Publicado: (2012)

Inclusion complexes of the steroid hormones 17β-estradiol and progesterone with β- and γ-cyclodextrin hosts: syntheses, X-ray structures, thermal analyses and API solubility enhancements
por: Vicatos, Alexios I, et al.
Publicado: (2022)

Tricyclic flavonoids with 1,3-dithiolium substructure
por: Bahrin, Lucian G, et al.
Publicado: (2012)

Improved Tricyclic Inhibitors of Trypanothione Reductase by Screening and Chemical Synthesis
por: Richardson, John L, et al.
Publicado: (2009)

Phosphated cyclodextrins as water-soluble chiral NMR solvating agents for cationic compounds
por: Puentes, Cira Mollings, et al.
Publicado: (2017)

In Situ Synchrotron X‐ray Diffraction Studies of the Mechanochemical Synthesis of ZnS from its Elements
por: Petersen, Hilke, et al.
Publicado: (2021)

Theoretical study on β-cyclodextrin inclusion complexes with propiconazole and protonated propiconazole
por: Fifere, Adrian, et al.
Publicado: (2012)

Inclusion of trans-resveratrol in methylated cyclodextrins: synthesis and solid-state structures
por: Trollope, Lee, et al.
Publicado: (2014)

X-ray diffraction and NMR data for the study of the location of idebenone and idebenol in model membranes
por: Gómez-Murcia, Victoria, et al.
Publicado: (2016)

Conformational heterogeneity of Savinase from NMR, HDX-MS and X-ray diffraction analysis
por: Wu, Shanshan, et al.
Publicado: (2020)

Xenon Dynamics in Ionic Liquids: A Combined NMR and MD Simulation Study
por: Castiglione, Franca, et al.
Publicado: (2020)

Ynamide Carbopalladation: A Flexible Route to Mono-, Bi- and Tricyclic Azacycles
por: Campbell, Craig D, et al.
Publicado: (2015)

Linkage of α-cyclodextrin-terminated poly(dimethylsiloxanes) by inclusion of quasi bifunctional ferrocene
por: Ritter, Helmut, et al.
Publicado: (2013)

Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes
por: Nutho, Bodee, et al.
Publicado: (2014)

Crystal structure of the inclusion complex of cholesterol in β-cyclodextrin and molecular dynamics studies
por: Christoforides, Elias, et al.
Publicado: (2018)

Solid-state studies and antioxidant properties of the γ-cyclodextrin·fisetin inclusion compound
por: Pais, Joana M, et al.
Publicado: (2017)

Molecular recognition of flunarizine dihydrochloride and β-cyclodextrin inclusion complex by NMR and computational approaches
por: Upadhyay, Santosh Kumar, et al.
Publicado: (2018)

Understanding Inhomogeneous Reactions in Li‐Ion Batteries: Operando Synchrotron X‐Ray Diffraction on Two‐Layer Electrodes
por: Sasaki, Tsuyoshi, et al.
Publicado: (2015)

Raman and Infrared spectroscopies and X-ray diffraction data on bupivacaine and ropivacaine complexed with 2-hydroxypropyl−β−cyclodextrin
por: Martins, Murillo L., et al.
Publicado: (2017)

Redetermination of Mg(2)B(25) based on single-crystal X-ray data
por: Bindi, Luca, et al.
Publicado: (2012)

Cannot write session to /tmp/vufind_sessions/sess_vmij4a40r38oe7er6apst357sa