Distinctive Supramolecular Features of β-Cyclodextrin Inclusion Complexes with Antidepressants Protriptyline and Maprotiline: A Comprehensive Structural Investigation.
DFT calculation
X-ray analysis
maprotiline
protriptyline
tricyclic antidepressants (TCAs)
β-cyclodextrin
Journal
Pharmaceuticals (Basel, Switzerland)
ISSN: 1424-8247
Titre abrégé: Pharmaceuticals (Basel)
Pays: Switzerland
ID NLM: 101238453
Informations de publication
Date de publication:
18 Aug 2021
18 Aug 2021
Historique:
received:
20
07
2021
revised:
08
08
2021
accepted:
16
08
2021
entrez:
28
8
2021
pubmed:
29
8
2021
medline:
29
8
2021
Statut:
epublish
Résumé
Depression, a global mental illness, is worsened due to the coronavirus disease 2019 (COVID-2019) pandemic. Tricyclic antidepressants (TCAs) are efficacious for the treatment of depression, even though they have more side effects. Cyclodextrins (CDs) are powerful encapsulating agents for improving molecular stability, water solubility, and lessening the undesired effects of drugs. Because the atomic-level understanding of the β-CD-TCA inclusion complexes remains elusive, we carried out a comprehensive structural study via single-crystal X-ray diffraction and density functional theory (DFT) full-geometry optimization. Here, we focus on two complexes lining on the opposite side of the β-CD-TCA stability spectrum based on binding constants (
Identifiants
pubmed: 34451908
pii: ph14080812
doi: 10.3390/ph14080812
pmc: PMC8400697
pii:
doi:
Types de publication
Journal Article
Langues
eng
Subventions
Organisme : The Ratchadapisek Sompoch Endowment Fund, Chulalongkorn University
ID : CU-GR_63_161_23_27
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