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Molecules
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Synthesis and Molecular Recognition of Macrocyclic Compounds, 2nd Edition
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Synthesis and Molecular Recognition of Macrocyclic Compounds, 2nd Edition

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Organic Chemistry".

Deadline for manuscript submissions: 28 February 2025 | Viewed by 2854

Special Issue Editor

Prof. Dr. Peter Huszthy

E-Mail Website
Guest Editor
Department of Organic Chemistry and Technology, Budapest University of Technology and Economics, Szent Gellért tér 4, 1111 Budapest, Hungary
Interests: synthesis and molecular recognition of macrocycles
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The molecular recognition of biomolecules is a ubiquitous and vital phenomenon in nature. This phenomenon can also be engineered into synthetic molecules such as macrocycles.

Studies on molecular recognition using macrocycles such as crown ethers, cryptands, calixarenes, cyclodextrin derivatives, spherands, cavitands, cyclophanes, cucurbiturils, catenanes, rotaxanes, and many others are not only important because they help us to better understand its working in nature, but also because these studies can lead to the development of effective sensor and selector molecules and catalysts with wide applications.

This Special Issue focuses on the synthesis and molecular recognition of macrocycles and their applications as sensors, selectors, and catalysts.

Prof. Dr. Peter Huszthy
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • synthesis
  • host–guest interaction
  • thermodynamic parameters
  • kinetic parameters
  • sensor molecules
  • selector molecules
  • catalysts
  • medical applications
  • industrial applications

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Related Special Issue

Published Papers (3 papers)

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Research

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22 pages, 9663 KiB  
Article
A Bis(Acridino)-Crown Ether for Recognizing Oligoamines in Spermine Biosynthesis
by Péter Kisfaludi, Sára Spátay, Marcell Krekó, Panna Vezse, Tünde Tóth, Péter Huszthy and Ádám Golcs
Molecules 2024, 29(18), 4390; https://doi.org/10.3390/molecules29184390 - 15 Sep 2024
Viewed by 864
Abstract
Oligoamines in cellular metabolism carry extremely diverse biological functions (i.e., regulating Ca2+-influx, neuronal nitric oxide synthase, membrane potential, Na+, K+-ATPase activity in synaptosomes, etc.). Furthermore, they also act as longevity agents and have a determinative role in [...] Read more.
Oligoamines in cellular metabolism carry extremely diverse biological functions (i.e., regulating Ca2+-influx, neuronal nitric oxide synthase, membrane potential, Na+, K+-ATPase activity in synaptosomes, etc.). Furthermore, they also act as longevity agents and have a determinative role in autophagy, cell growth, proliferation, and death, while oligoamines dysregulation is a key in a variety of cancers. However, many of their mechanisms of actions have just begun to be understood. In addition to the numerous biosensing methods, only a very few simple small molecule-based tests are available for their selective but reversible tracking or fluorescent labeling. Motivated by this, we present herein a new fluorescent bis(acridino)-crown ether as a sensor molecule for biogenic oligoamines. The sensor molecule can selectively distinguish oligoamines from aliphatic mono- and diamino-analogues, while showing a reversible 1:2 (host:guest) complexation with a stepwise binding process accompanied by a turn-on fluorescence response. Both computational simulations on molecular docking and regression methods on titration experiments were carried out to reveal the oligoamine-recognition properties of the sensor molecule. The new fluorescent chemosensor molecule has a high potential for molecular-level functional studies on the oligoamine systems in cell processes (cellular uptake, transport, progression in cancers, etc.). Full article
(This article belongs to the Special Issue Synthesis and Molecular Recognition of Macrocyclic Compounds, 2nd Edition)
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17 pages, 20487 KiB  
Article
The Impact of Cyclodextrins on the Physiology of Candida boidinii: Exploring New Opportunities in the Cyclodextrin Application
by Rita Márton, Márk Margl, Lilla Kinga Tóth, Éva Fenyvesi, Lajos Szente and Mónika Molnár
Molecules 2024, 29(15), 3698; https://doi.org/10.3390/molecules29153698 - 5 Aug 2024
Viewed by 848
Abstract
Cyclodextrins, commonly used as excipients in antifungal formulations to improve the physicochemical properties and availability of the host molecules, have not been systematically studied for their effects and bioactivity without a complex active substance. This paper evaluates the effects of various cyclodextrins on [...] Read more.
Cyclodextrins, commonly used as excipients in antifungal formulations to improve the physicochemical properties and availability of the host molecules, have not been systematically studied for their effects and bioactivity without a complex active substance. This paper evaluates the effects of various cyclodextrins on the physiology of the test organism Candida boidinii. The research examines their impact on yeast growth, viability, biofilm formation and morphological changes. Native ACD, BCD, randomly methylated α- and β-CD and quaternary ammonium α-CD and β-CD were investigated in the 0.5–12.5 mM concentration range in both static and dynamic systems. The study revealed that certain cyclodextrins exhibited notable antifungal effects (up to ~69%) in dynamic systems; however, the biofilm formation was enhanced in static systems. The magnitude of these effects was influenced by several variables, including the size of the internal cavity, the concentration and structure of the cyclodextrins, and the contact time. Furthermore, the study found that CDs exhibited distinct effects in both static and dynamic systems, potentially related to their tendency to form aggregates. The findings suggest that cyclodextrins may have the potential to act as antifungal agents or growth promoters, depending on their structure and surrounding environments. Full article
(This article belongs to the Special Issue Synthesis and Molecular Recognition of Macrocyclic Compounds, 2nd Edition)
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Review

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21 pages, 2627 KiB  
Review
Enhancing Cannabinoid Bioavailability in Pain Management: The Role of Cyclodextrins
by Adriana Ribeiro, Rui Loureiro and Helena Cabral-Marques
Molecules 2024, 29(22), 5340; https://doi.org/10.3390/molecules29225340 - 13 Nov 2024
Viewed by 765
Abstract
Chronic pain (CP), including pain related to cancer, affects approximately 2 billion people worldwide, significantly diminishing quality of life and imposing socio-economic burdens. Current treatments often provide limited relief and may cause adverse effects, demanding more effective alternatives. Natural compounds from Cannabis sativa [...] Read more.
Chronic pain (CP), including pain related to cancer, affects approximately 2 billion people worldwide, significantly diminishing quality of life and imposing socio-economic burdens. Current treatments often provide limited relief and may cause adverse effects, demanding more effective alternatives. Natural compounds from Cannabis sativa L., particularly cannabinoids like THC and CBD, exhibit analgesic and anti-inflammatory properties, but their therapeutic use is restricted by poor solubility and low bioavailability. Cyclodextrins (CDs) and cyclic oligosaccharides may encapsulate hydrophobic drugs in order to enhance their solubility and stability, offering a promising solution to these challenges. This study explores the formation of CD inclusion complexes with cannabinoids and specific terpenes, such as D-limonene (LIM), beta-caryophyllene (BCP), and gamma-terpinene (γ-TPN), aiming to improve pharmacokinetic profiles and therapeutic efficacy. We discuss analytical techniques for characterizing these complexes and their mechanisms of action, highlighting the potential of CDs to optimize drug formulations. The integration of CDs in cannabinoid therapies may enhance patient compliance and treatment outcomes in CP management. Future research should focus on innovative formulations and delivery systems to maximize the clinical applications of those compounds. Full article
(This article belongs to the Special Issue Synthesis and Molecular Recognition of Macrocyclic Compounds, 2nd Edition)
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