ArticleMolecules (Basel, Switzerland)2021
On the Interactions of Melatonin/β-Cyclodextrin Inclusion Complex: A Novel Approach Combining Efficient Semiempirical Extended Tight-Binding (xTB) Results with Ab Initio Methods.
Article in Molecules (Basel, Switzerland), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed, 31 citations in OpenAlex.
- Path Selective Photoinduced Energy and Electron Transfer in a Bis(acridinium-Zn(II) Porphyrin)-tetrapyridyl Porphyrin Host-Guest Complex.Chemistry (Weinheim an der Bergstrasse, Germany) · 2026Article
- Controlling cyclodextrin host-guest complexation in water with dynamic pericyclic chemistry.Communications chemistry · 2025Article
- Host-Guest Dynamic Behavior of Melatonin Encapsulated in β-Cyclodextrin Nanosponges.ACS omega · 2025Article
- Near-infrared activated liposomes for neuroprotection in glaucoma.Journal of materials chemistry. B · 2024Article
- Exploration of the Conformational Scenario for α-, β-, and γ-Cyclodextrins in Dry and Wet Conditions, from Monomers to Crystal Structures: A Quantum-Mechanical Study.International journal of molecular sciences · 2023Article
- Quantum Mechanical Assessment of Protein-Ligand Hydrogen Bond Strength Patterns: Insights from Semiempirical Tight-Binding and Local Vibrational Mode Theory.International journal of molecular sciences · 2023Article
- Article
- Current Status of Quantum Chemical Studies of Cyclodextrin Host-Guest Complexes.Molecules (Basel, Switzerland) · 2022Review
- Assessment of Melatonin-Cultured Collagen/Chitosan Scaffolds Cross-Linked by a Glyoxal Solution as Biomaterials for Wound Healing.Antioxidants (Basel, Switzerland) · 2022Article
- Melatonin/Cyclodextrin Inclusion Complexes: A Review.Molecules (Basel, Switzerland) · 2022Review
- Thermodynamic Studies of Interactions between Sertraline Hydrochloride and Randomly Methylated β-Cyclodextrin Molecules Supported by Circular Dichroism Spectroscopy and Molecular Docking Results.International journal of molecular sciences · 2021Article
Corrections and comments
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Authors and funding
7 authors at 3 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
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 drug, an appropriate transport vehicle has to be developed, in order to optimize its release in the human tissues. As a possible drug-delivery system, β-cyclodextrin (βCD) represents a promising scaffold which can encapsulate the melatonin, releasing when needed. In this work, we present a computational study supported by experimental IR spectra on inclusion MT/βCD complexes. The aim is to provide a robust, accurate and, at the same time, low-cost methodology to investigate these inclusion complexes both with static and dynamic simulations, in order to study the main actors that drive the interactions of melatonin with β-cyclodextrin and, therefore, to understand its release mechanism.
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Registered trials
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