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...

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Bibliographic Details
Main Authors: Riccardo Ferrero, Stefano Pantaleone, Massimo Delle Piane, Fabrizio Caldera, Marta Corno, Francesco Trotta, Valentina Brunella
Format: Article
Language:English
Published: MDPI AG 2021-09-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/26/19/5881