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Macrocycles as Catalysts or Drug Carriers
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Macrocycles as Catalysts or Drug Carriers

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Pharmacology".

Deadline for manuscript submissions: closed (31 October 2022) | Viewed by 12826

Special Issue Editors

Dr. Grigory Zyryanov

E-Mail Website
Guest Editor
Department of Organic and Biomolecular Chemistry, Ural Federal University, 620002 Yekaterinburg, Russia
Interests: (Aza)arenes; green synthetic methods; chemosensors; ligands; fluorophores; molecular recognition; bioactive compounds; photoluminescence
Special Issues, Collections and Topics in MDPI journals
Dr. Sougata Santra

E-Mail Website
Guest Editor
Department of Organic & Biomolecular Chemistry, Ural Federal University, 19 Mira Street, 620002 Yekaterinburg, Russia
Interests: green chemistry; (aza)pyridines; lantahanide chelates; CH-functionalization; (hetero)macrocycles; molecular recognition; drug candidates
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Naturally occurring and synthetic macrocyclic compounds possess tunable physic-chemical properties as well as intriguing host–guest properties which are controlled by both peripheral substitution and inner cavity size. Progress in the synthesis and fundamental understanding of host–guest properties has led to significant advances in the creation of macrocycle-based materials for various medicinal and catalytic applications.

For these applications, it is important to design and synthesize macrocycles which have great potential to interact with both various biological targets and organic/inorganic molecules, architectures, or metal NPs through supramolecular (self-)assembly by means of noncovalent interactions including encapsulation, hydrogen bonding, pi-stacking, and electrostatic interactions.

In this respect, new macrocycles and macrocycle-based materials with the ability to support, transport, and release drug molecules, macrocycles, and materials for bioimaging and theranostics as well as macrocycles with the ability to support various catalysts for catalyzing chemical reactions are attracting the increasing interest of the world scientific community.

This Special Issue welcomes the submission of original research papers or comprehensive reviews that describe significant advances in macrocyclic hosts, macrocyclic druglike molecules, or macrocycle-based hybrid materials and composites in terms of their applications as drug delivery systems, catalysts, materials for bioimaging or theranostic, nano(bio)materials for personal medicine, and other aspects.

Subtopics:

  1. Pre- and post-modification of macrocycles with ionic and nonionic groups for the enhanced encapsulation and/or controlled release of drugs and/or for improved catalytic activity
  2. Druglike (metallo)macrocycles
  3. Encapsulation and (photo)controlled release of therapeutic agents
  4. (Metallo)macrocyclic agents for photodynamic therapy
  5. Macrocycle-supported metal NPs for medicinal and catalytic applications
  6. Macrocycle-based nanocomposites for medicinal and catalytic applications
  7. (Photo)catalytic effects and (photo)catalytic activity

Dr. Grigory Zyryanov
Dr. Sougata Santra
Guest Editors

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Published Papers (5 papers)

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Research

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24 pages, 8517 KiB  
Article
Aminooxy Click Modification of a Periodate-Oxidized Immunoglobulin G: A General Approach to Antibody–Drug Conjugates with Dye-Mediated Expeditious Stoichiometry Control
by Ksenia A. Sapozhnikova, Evgeny L. Gulyak, Vladimir A. Brylev, Vsevolod A. Misyurin, Sergey D. Oreshkov, Anastasiya V. Alexeeva, Dmitry Yu. Ryazantsev, Maria A. Simonova, Ekaterina V. Ryabukhina, Galina P. Popova, Nataliya A. Tikhonova, Natalia A. Lyzhko, Alexander E. Barmashov, Andrey V. Misyurin, Alexey V. Ustinov, Vera A. Alferova and Vladimir A. Korshun
Int. J. Mol. Sci. 2023, 24(6), 5134; https://doi.org/10.3390/ijms24065134 - 7 Mar 2023
Cited by 3 | Viewed by 2884
Abstract
A universal approach to the construction of antibody–drug conjugates (ADCs) has been developed. It relies on periodate oxidation of naturally present glycans of immunoglobulin G, followed by oxime ligation and, optionally, copper(I)-catalyzed alkyne-azide cycloaddition for conjugation with a toxic payload. The introduction of [...] Read more.
A universal approach to the construction of antibody–drug conjugates (ADCs) has been developed. It relies on periodate oxidation of naturally present glycans of immunoglobulin G, followed by oxime ligation and, optionally, copper(I)-catalyzed alkyne-azide cycloaddition for conjugation with a toxic payload. The introduction of highly absorbing cyanine dyes into the linker allows for facile determination of the drug–antibody ratio. We applied this methodology to the synthesis of cytotoxic conjugates of an antibody against the tumor-associated antigen PRAME with doxorubicin and monomethyl auristatin E (MMAE). The resultant conjugates retained their affinity to a large extent, yet their cytotoxicity in vitro varied dramatically: while the doxorubicin-based conjugate did not produce any effect on cells, the MMAE-based one demonstrated specific activity against PRAME-expressing cancer cell lines. Importantly, the latter conjugate constitutes the first reported example of a PRAME-targeting ADC. Full article
(This article belongs to the Special Issue Macrocycles as Catalysts or Drug Carriers)
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15 pages, 3369 KiB  
Article
Cyclodextrin-Based Displacement Strategy of Sterigmatocystin from Serum Albumin as a Novel Approach for Acute Poisoning Detoxification
by Daniela Jakšić, Maja Šegvić Klarić, Hrvoje Rimac, Robert Kerep and Ivo Piantanida
Int. J. Mol. Sci. 2023, 24(5), 4485; https://doi.org/10.3390/ijms24054485 - 24 Feb 2023
Viewed by 1677
Abstract
This study demonstrates that sterigmatocystin (STC) interacts non-covalently with various cyclodextrins (CDs), showing the highest binding affinity for sugammadex (a γ-CD derivative) and γ-CD, and an almost order of magnitude lower affinity for β-CD. This difference in affinity was studied using molecular modelling [...] Read more.
This study demonstrates that sterigmatocystin (STC) interacts non-covalently with various cyclodextrins (CDs), showing the highest binding affinity for sugammadex (a γ-CD derivative) and γ-CD, and an almost order of magnitude lower affinity for β-CD. This difference in affinity was studied using molecular modelling and fluorescence spectroscopy, which demonstrated a better insertion of STC into larger CDs. In parallel, we showed that STC binds to human serum albumin (HSA) (a blood protein known for its role as a transporter of small molecules) with an almost two order of magnitude lower affinity compared to sugammadex and γ-CD. Competitive fluorescence experiments clearly demonstrated an efficient displacement of STC from the STC–HSA complex by cyclodextrins. These results are a proof-of-concept that CDs can be used to complex STC and related mycotoxins. Similarly, as sugammadex extracts neuromuscular relaxants (e.g., rocuronium and vecuronium) from blood and blocks their bioactivity, it could also be used as first aid upon acute intoxication to encapsulate a larger part of the STC mycotoxin from serum albumin. Full article
(This article belongs to the Special Issue Macrocycles as Catalysts or Drug Carriers)
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28 pages, 14627 KiB  
Article
Solvatochromic Sensitivity of BODIPY Probes: A New Tool for Selecting Fluorophores and Polarity Mapping
by Felix Y. Telegin, Viktoria S. Karpova, Anna O. Makshanova, Roman G. Astrakhantsev and Yuriy S. Marfin
Int. J. Mol. Sci. 2023, 24(2), 1217; https://doi.org/10.3390/ijms24021217 - 7 Jan 2023
Cited by 6 | Viewed by 2507
Abstract
This research work is devoted to collecting a high-quality dataset of BODIPYs in a series of 10–30 solvents. In total, 115 individual compounds in 71 solvents are represented by 1698 arrays of the spectral and photophysical properties of the fluorophore. Each dye for [...] Read more.
This research work is devoted to collecting a high-quality dataset of BODIPYs in a series of 10–30 solvents. In total, 115 individual compounds in 71 solvents are represented by 1698 arrays of the spectral and photophysical properties of the fluorophore. Each dye for a series of solvents is characterized by a calculated value of solvatochromic sensitivity according to a semiempirical approach applied to a series of solvents. The whole dataset is classified into 6 and 24 clusters of solvatochromic sensitivity, from high negative to high positive solvatochromism. The results of the analysis are visualized by the polarity mapping plots depicting, in terms of wavenumbers, the absorption versus emission, stokes shift versus − (absorption maxima + emission maxima), and quantum yield versus stokes shift. An analysis of the clusters combining several dyes in an individual series of solvents shows that dyes of a high solvatochromic sensitivity demonstrate regular behaviour of the corresponding plots suitable for polarity and viscosity mapping. The fluorophores collected in this study represent a high quality dataset of pattern dyes for analytical and bioanalytical applications. The developed tools could be applied for the analysis of the applicability domain of the fluorescent sensors. Full article
(This article belongs to the Special Issue Macrocycles as Catalysts or Drug Carriers)
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18 pages, 1673 KiB  
Article
Calix[4]Resorcinarene Carboxybetaines and Carboxybetaine Esters: Synthesis, Investigation of In Vitro Toxicity, Anti-Platelet Effects, Anticoagulant Activity, and BSA Binding Affinities
by Julia E. Morozova, Zuchra R. Gilmullina, Alexandra D. Voloshina, Anna P. Lyubina, Syumbelya K. Amerhanova, Victor V. Syakaev, Olga B. Babaeva, Albina Y. Ziganshina, Timur A. Mukhametzyanov, Aleksandr V. Samorodov, Michael M. Galagudza and Igor S. Antipin
Int. J. Mol. Sci. 2022, 23(23), 15298; https://doi.org/10.3390/ijms232315298 - 4 Dec 2022
Cited by 6 | Viewed by 1808
Abstract
As a result of bright complexation properties, easy functionalization and the ability to self-organize in an aqueous solution, amphiphilic supramolecular macrocycles are being actively studied for their application in nanomedicine (drug delivery systems, therapeutic and theranostic agents, and others). In this regard, it [...] Read more.
As a result of bright complexation properties, easy functionalization and the ability to self-organize in an aqueous solution, amphiphilic supramolecular macrocycles are being actively studied for their application in nanomedicine (drug delivery systems, therapeutic and theranostic agents, and others). In this regard, it is important to study their potential toxic effects. Here, the synthesis of amphiphilic calix[4]resorcinarene carboxybetaines and their esters and the study of a number of their microbiological properties are presented: cytotoxic effect on normal and tumor cells and effect on cellular and non-cellular components of blood (hemotoxicity, anti-platelet effect, and anticoagulant activity). Additionally, the interaction of macrocycles with bovine serum albumin as a model plasma protein is estimated by various methods (fluorescence spectroscopy, synchronous fluorescence spectroscopy, circular dichroic spectroscopy, and dynamic light scattering). The results demonstrate the low toxicity of the macrocycles, their anti-platelet effects at the level of acetylsalicylic acid, and weak anticoagulant activity. The study of BSA–macrocycle interactions demonstrates the dependence on macrocycle hydrophilic/hydrophobic group structure; in the case of carboxybetaines, the formation of complexes prevents self-aggregation of BSA molecules in solution. The present study demonstrates new data on potential drug delivery nanosystems based on amphiphilic calix[4]resorcinarenes for their cytotoxicity and effects on blood components. Full article
(This article belongs to the Special Issue Macrocycles as Catalysts or Drug Carriers)
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Review

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31 pages, 8382 KiB  
Review
Pillararenes as Promising Carriers for Drug Delivery
by Grigory V. Zyryanov, Dmitry S. Kopchuk, Igor S. Kovalev, Sougata Santra, Adinath Majee and Brindaban C. Ranu
Int. J. Mol. Sci. 2023, 24(6), 5167; https://doi.org/10.3390/ijms24065167 - 8 Mar 2023
Cited by 12 | Viewed by 3184
Abstract
Since their discovery in 2008 by N. Ogoshi and co-authors, pillararenes (PAs) have become popular hosts for molecular recognition and supramolecular chemistry, as well as other practical applications. The most useful property of these fascinating macrocycles is their ability to accommodate reversibly guest [...] Read more.
Since their discovery in 2008 by N. Ogoshi and co-authors, pillararenes (PAs) have become popular hosts for molecular recognition and supramolecular chemistry, as well as other practical applications. The most useful property of these fascinating macrocycles is their ability to accommodate reversibly guest molecules of various kinds, including drugs or drug-like molecules, in their highly ordered rigid cavity. The last two features of pillararenes are widely used in various pillararene-based molecular devices and machines, stimuli-responsive supramolecular/host–guest systems, porous/nonporous materials, organic–inorganic hybrid systems, catalysis, and, finally, drug delivery systems. In this review, the most representative and important results on using pillararenes for drug delivery systems for the last decade are presented. Full article
(This article belongs to the Special Issue Macrocycles as Catalysts or Drug Carriers)
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