Cargando…
On the Interactions of Melatonin/β-Cyclodextrin Inclusion Complex: A Novel Approach Combining Efficient Semiempirical Extended Tight-Binding (xTB) Results with Ab Initio Methods
Melatonin (MT) is a molecule of paramount importance in all living organisms, due to its presence in many biological activities, such as circadian (sleep–wake cycle) and seasonal rhythms (reproduction, fattening, molting, etc.). Unfortunately, it suffers from poor solubility and, to be used as a dru...
Autores principales: | Ferrero, Riccardo, Pantaleone, Stefano, Delle Piane, Massimo, Caldera, Fabrizio, Corno, Marta, Trotta, Francesco, Brunella, Valentina |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8512077/ https://www.ncbi.nlm.nih.gov/pubmed/34641423 http://dx.doi.org/10.3390/molecules26195881 |
Ejemplares similares
-
Calculation of Electron Ionization Mass Spectra with
Semiempirical GFNn-xTB Methods
por: Koopman, Jeroen, et al.
Publicado: (2019) -
A Comparison between the Molecularly Imprinted and Non-Molecularly Imprinted Cyclodextrin-Based Nanosponges for the Transdermal Delivery of Melatonin
por: Hoti, Gjylije, et al.
Publicado: (2023) -
Ab Initio Evaluation of Complexation
Energies for Cyclodextrin-Drug Inclusion Complexes
por: Oqmhula, Kenji, et al.
Publicado: (2020) -
Cyclodextrins for Lithium Batteries Applications
por: Desoky, Mohamed M. H., et al.
Publicado: (2023) -
Efficient Computation of Structural and Electronic
Properties of Halide Perovskites Using Density Functional Tight Binding:
GFN1-xTB Method
por: Vicent-Luna, José Manuel, et al.
Publicado: (2021)