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Special Issue "Development and Synthesis of Biologically Active Compounds"

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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: 31 October 2023 | Viewed by 2500

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Special Issue Editors

Dr. Galina A. Gazieva

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Guest Editor

Laboratory of Nitrogen-Containing Compounds, N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Science, Moscow, Russia
Interests: anti-cancer activity; biologically active compounds; heterocyclic chemistry; cycloaddition reactions; rearrangements

Prof. Dr. Konstantin Chegaev

E-Mail Website
Guest Editor

Department of Drug Science and Technology, Università degli Studi di Torino, Turin, Italy
Interests: structural and pharmacological design; synthesis and characterization of new multitarget molecules

Special Issue Information

Dear Colleagues,

Biologically active compounds capable of affecting a living organism, tissue, or cell play an important role in treating and preventing various diseases. They can, therefore, promote a significant improvement in the quality of life and increase life expectancy. These compounds represent synthetically produced substances and/or naturally occurring ones in plants, animals, or other types of living organisms.

The Special Issue entitled "Development and Synthesis of Biologically Active Compounds" will present new advances in the design, synthesis, and in vitro and in vivo biological evaluation of bioactive compounds that can lead to the development of natural or synthetic active molecules looking for promising drugs.

This Special Issue welcomes papers addressing different synthetic strategies, isolation from natural sources, biological screening of compound libraries, or in silico approaches.

Dr. Galina A. Gazieva
Prof. Dr. Konstantin Chegaev
Guest Editors

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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

organic synthesis
heterocyclic moieties
nature-derived molecules
biological activity
structure–activity relationships
lead optimization
drug design
molecular modeling

Published Papers (4 papers)

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Research

Open AccessArticle

Synthesis and Evaluation on the Fungicidal Activity of S-Alkyl Substituted Thioglycolurils

Ekaterina E. Vinogradova

Anna L. Alekseenko

Sergey V. Popkov

Natalya G. Kolotyrkina

Angelina N. Kravchenko

and

Galina A. Gazieva

Int. J. Mol. Sci. 2023, 24(6), 5756; https://doi.org/10.3390/ijms24065756 - 17 Mar 2023

Viewed by 214

Abstract

A series of S-alkyl substituted thioglycolurils was prepared through the alkylation of corresponding thioglycolurils with halogenoalkanes and tested for their fungicidal activity against six phytopathogenic fungi from different taxonomic classes: Venturia inaequalis, Rhizoctonia solani, Fusarium oxysporum, Fusarium moniliforme, Bipolaris sorokiniana, and Sclerotinia sclerotiorum, and two pathogenic yeasts: Candida albicans and Cryptococcus neoformans var. grubii. A number of S-alkyl substituted thioglycolurils exhibited high activity against Venturia inaequalis and Rhizoctonia solani (85–100% mycelium growth inhibition), and moderate activity against other phytopathogens. S-Ethyl substituted thioglycolurils possessed a high activity against Candida albicans. Additionally, the hemolytic and cytotoxic properties of promising derivatives were determined using human red blood cells and human embryonic kidney cells, respectively. Two S-ethyl derivatives possessed both low cytotoxicity against normal human cells and high fungicidal activity against Candida albicans. Full article

(This article belongs to the Special Issue Development and Synthesis of Biologically Active Compounds)

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Open AccessArticle

[4+2]-Cycloaddition to 5-Methylidene-Hydantoins and 5-Methylidene-2-Thiohydantoins in the Synthesis of Spiro-2-Chalcogenimidazolones

Dmitry E. Shybanov

Maxim E. Kukushkin

Yanislav S. Hrytseniuk

Yuri K. Grishin

Vitaly A. Roznyatovsky

Viktor A. Tafeenko

Dmitry A. Skvortsov

Nikolai V. Zyk

and

Elena K. Beloglazkina

Int. J. Mol. Sci. 2023, 24(5), 5037; https://doi.org/10.3390/ijms24055037 - 06 Mar 2023

Viewed by 374

Abstract

Novel hydantion and thiohydantoin-based spiro-compounds were prepared via theDiels–Alder reactions between 5-methylidene-hydantoins or 5-methylidene-2-thiohydantoins and 1,3-dienes (cyclopentadiene, cyclohexadiene, 2,3-dimethylbutadiene, isoprene). It was shown that the cycloaddition reactions proceed regioselectively and stereoselectively with the formation of exo-isomers in the reactions with cyclic dienes andthe less sterically hindered products in the reactions with isoprene. Reactions of methylideneimidazolones with cyclopentadiene proceed viaco-heating the reactants; reactions with cyclohexadiene, 2,3-dimethylbutadiene, and isoprene require catalysis by Lewis acids. It was demonstrated that ZnI₂ is an effective catalyst in the Diels–Alder reactions of methylidenethiohydantoins with non-activated dienes. The possibility of alkylation and acylation of the obtained spiro-hydantoinsat the N(1)nitrogen atoms with PhCH₂Cl or Boc₂O and the alkylation of the spiro-thiohydantoinsat the S atoms with MeI or PhCH₂Cl in high yields have been demonstrated. The preparativetransformation of spiro-thiohydantoins into corresponding spiro-hydantoinsin mild conditions by treating with 35% aqueous H₂O₂ or nitrile oxide has been carried out. The obtained compounds show moderate cytotoxicity in the MTT test on MCF7, A549, HEK293T, and VA13 cell lines. Some of the tested compounds demonstrated some antibacterial effect against Escherichia coli (E. coli) BW25113 DTC-pDualrep2 but were almost inactive against E. coli BW25113 LPTD-pDualrep2. Full article

(This article belongs to the Special Issue Development and Synthesis of Biologically Active Compounds)

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Open AccessArticle

Obtaining Highly Active Catalytic Antibodies Capable of Enzymatically Cleaving Antigens

and

Int. J. Mol. Sci. 2022, 23(22), 14351; https://doi.org/10.3390/ijms232214351 - 18 Nov 2022

Viewed by 569

Abstract

A catalytic antibody has multiple functions compared with a monoclonal antibody because it possesses unique features to digest antigens enzymatically. Therefore, many catalytic antibodies, including their subunits, have been produced since 1989. The catalytic activities often depend on the preparation methods and conditions. In order to elicit the high catalytic activity of the antibodies, the most preferable methods and conditions, which can be generally applicable, must be explored. Based on this view, systematic experiments using two catalytic antibody light chains, #7TR and H34, were performed by varying the purification methods, pH, and chemical reagents. The experimental results obtained by peptidase activity tests and kinetic analysis, revealed that the light chain’s high catalytic activity was observed when it was prepared under a basic condition. These data imply that a small structural modulation of the catalytic antibody occurs during the purification process to increase the catalytic activity while the antigen recognition ability is kept constant. The presence of NaCl enhanced the catalytic activity. When the catalytic light chain was prepared with these preferable conditions, #7TR and H34 hugely enhanced the degradation ability of Amyloid-beta and PD-1 peptide, respectively. Full article

(This article belongs to the Special Issue Development and Synthesis of Biologically Active Compounds)

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Open AccessArticle

Synthesis, Anticancer and Antitubercular Properties of New Chalcones and Their Nitrogen-Containing Five-Membered Heterocyclic Hybrids Bearing Sulfonamide Moiety

Lina Fernanda Castaño

and

Int. J. Mol. Sci. 2022, 23(20), 12589; https://doi.org/10.3390/ijms232012589 - 20 Oct 2022

Cited by 2 | Viewed by 970

Abstract

A new series of sulfonamides, 8a-b, 10, 12, and 14a-b, were synthesized by N-sulfonation reaction with sulfonyl chlorides 6a-b. Five new series of chalcone-sulfonamide hybrids (16-20)a-f were prepared via Claisen–Schmidt condensation of the newly obtained sulfonamides with aromatic aldehydes 15a-f in basic medium. Chalcones substituted with chlorine at position 4 of each series were used as precursors for the generation of their five-membered heterocyclic pyrazoline (22-23)a-d, (24-25)a-b and carbothioamide 27a-f derivatives. The synthesized compounds were evaluated for their anticancer and antituberculosis activities. To determine their anticancer activity, compounds were screened against sixty human cancer cell lines at a single dose (10 μM). Compounds 17a-c were highly active against LOX IMVI (melanoma), with IC₅₀ values of 0.34, 0.73 and 0.54 μM, respectively. Chalcone 18e showed remarkable results against the entire panel of leukemia cell lines with IC₅₀ values between 0.99–2.52 μM. Moreover, compounds 20e and 20f displayed growth inhibition of Mycobacterium tuberculosis H37Rv at concentrations below 10 μM. Although they showed low selectivity in cytotoxicity tests against the Vero cell line, further optimization could advance the potential biological activity of the selected compounds. Full article

(This article belongs to the Special Issue Development and Synthesis of Biologically Active Compounds)

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Special Issue "Development and Synthesis of Biologically Active Compounds"

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