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Organic Synthesis and Medicinal Chemistry, Two Inseparable Partners: Recent Advances...
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Organic Synthesis and Medicinal Chemistry, Two Inseparable Partners: Recent Advances in Heterocyclic Chemistry

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

Deadline for manuscript submissions: 31 January 2025 | Viewed by 5487

Special Issue Editor

Dr. Graziella Tocco

E-Mail Website
Guest Editor
Department of Life and Environmental Science, University of Cagliari, Cittadella Universitaria di Monserrato, Monserrato, Cagliari, Italy
Interests: synthetic organic chemistry; medicinal chemistry; drug-like molecules; enzyme inhibitors; HIV-1 RNase H and integrase allosteric inhibitors; synthetic opioid ligands; nematicidal and phytoactive compounds

Special Issue Information

Dear Colleagues,

The development of novel synthetic bioactive compounds has always been an important aspect in medicinal chemistry research. In this sense, organic synthesis plays a central role, being therefore an inseparable partner of any drug discovery process.

Among the plethora of organic molecules, synthetic aliphatic and aromatic heterocycles attract attention because of their extraordinary ability to mimic endogenous structures including, e.g., enzyme substrates, neurotransmitters, antioxidants, and alkaloids. Thus, the heterocyclic chemical knowledge has significatively improved and led to more sustainable, diverse strategies, e.g., flow chemistry, mechanochemistry, and photochemistry have been applied to the synthesis of multipurpose compounds with high molecular diversity.

Consequently, the development of novel synthetic strategies and the design of heterocycles with alternative modes of action is continuously warranted.

In this Special Issue we will welcome research articles, short communications, or review papers centered on the application of organic chemistry strategies to the synthesis of drug-like heterocycles. Contributions focusing on in silico drug design or on the synthesis and biological activity of new heterocyclic derivatives will be also considered.

Dr. Graziella Tocco
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

  • organic chemistry methods
  • organic synthesis
  • medicinal chemistry
  • heterocycles
  • drug discovery
  • in silico drug design
  • biologically active compounds

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Published Papers (4 papers)

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Research

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19 pages, 3701 KiB  
Article
Enhancing Antileishmanial Activity of Amidoxime-Based Compounds Bearing a 4,5-Dihydrofuran Scaffold: In Vitro Screening Against Leishmania amazonensis
by Fabiana Maia Santos Urbancg Moncorvo, Oscar Leonardo Avendaño Leon, Christophe Curti, Youssef Kabri, Sébastien Redon, Eduardo Caio Torres-Santos and Patrice Vanelle
Molecules 2024, 29(22), 5469; https://doi.org/10.3390/molecules29225469 - 20 Nov 2024
Viewed by 304
Abstract
Leishmaniasis, a protozoan disease affecting humans, exposes significant shortcomings in current treatments. In continuation to our previous findings on amidoxime-based antileishmanial compounds bearing a 4,5-dihydrofuran scaffold, twelve new amidoxime derivatives substituted at position 3 with an amide bearing a nitrogen heterocycle were synthesized. [...] Read more.
Leishmaniasis, a protozoan disease affecting humans, exposes significant shortcomings in current treatments. In continuation to our previous findings on amidoxime-based antileishmanial compounds bearing a 4,5-dihydrofuran scaffold, twelve new amidoxime derivatives substituted at position 3 with an amide bearing a nitrogen heterocycle were synthesized. This series was designed to replace the sulfone and aryl group on a previously reported HIT. The synthesis of these compounds involved the following three-step pathway: manganese (III) acetate-based cyclization of a β-ketoester, followed by amidation with LiHMDS and a final reaction with hydroxylamine. Three of them, containing either bromine, chlorine, or methyl substitutions and featuring a pyridine moiety, showed an interesting toxicity–activity relationship in vitro. They exhibited IC50 values of 15.0 µM, 16.0 µM, and 17.0 µM against the promastigote form of the parasite and IC50 values of 0.5 µM, 0.6 µM, and 0.3 µM against the intracellular amastigote form, respectively. A selectivity index (SI) greater than 300 was established between the cytotoxic concentrations (in murine macrophages) and the effective concentrations (against the intracellular form of Leishmania amazonensis). This SI is at least seventy times higher than that observed for Pentamidine and twenty-five times higher than that observed for the reference HIT, as previously reported. Full article
(This article belongs to the Special Issue Organic Synthesis and Medicinal Chemistry, Two Inseparable Partners: Recent Advances in Heterocyclic Chemistry)
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16 pages, 1520 KiB  
Article
Unveiling the Untapped Potential of Bertagnini’s Salts in Microwave-Assisted Synthesis of Quinazolinones
by Shyamal Kanti Bera, Sourav Behera, Lidia De Luca, Francesco Basoccu, Rita Mocci and Andrea Porcheddu
Molecules 2024, 29(9), 1986; https://doi.org/10.3390/molecules29091986 - 26 Apr 2024
Cited by 1 | Viewed by 1305
Abstract
Microwave-assisted organic synthesis (MAOS) has emerged as a transformative technique in organic chemistry, significantly enhancing the speed, efficiency, and selectivity of chemical reactions. In our research, we have employed microwave irradiation to expedite the synthesis of quinazolinones, using water as an eco-friendly solvent [...] Read more.
Microwave-assisted organic synthesis (MAOS) has emerged as a transformative technique in organic chemistry, significantly enhancing the speed, efficiency, and selectivity of chemical reactions. In our research, we have employed microwave irradiation to expedite the synthesis of quinazolinones, using water as an eco-friendly solvent and thereby adhering to the principles of green chemistry. Notably, the purification of the product was achieved without the need for column chromatography, thus streamlining the process. A key innovation in our approach is using aldehyde bisulfite adducts (Bertagnini’s salts) as solid surrogates of aldehydes. Bertagnini’s salts offer several advantages over free aldehydes, including enhanced stability, easier purification, and improved reactivity. Green metrics and Eco-Scale score calculations confirmed the sustainability of this approach, indicating a reduction in waste generation and enhanced sustainability outcomes. This methodology facilitates the synthesis of a diverse array of compounds, offering substantial contributions to the field, with potential for widespread applications in pharmaceutical research and beyond. Full article
(This article belongs to the Special Issue Organic Synthesis and Medicinal Chemistry, Two Inseparable Partners: Recent Advances in Heterocyclic Chemistry)
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15 pages, 19361 KiB  
Article
Dihydroxyphenyl- and Heteroaromatic-Based Thienopyrimidinones to Tackle HIV-1 LEDGF/p75-Dependent IN Activity
by Graziella Tocco, Serena Canton, Antonio Laus, Pierluigi Caboni, Stuart F. J. Le Grice, Enzo Tramontano and Francesca Esposito
Molecules 2023, 28(18), 6700; https://doi.org/10.3390/molecules28186700 - 19 Sep 2023
Viewed by 1313
Abstract
The spread of Human Immunodeficiency Virus (HIV) still represents a global public health issue of major concern, and would benefit from unveiling unique viral features as targets for drug design. In this respect, HIV-1 integrase (IN), due to the absence of homologs in [...] Read more.
The spread of Human Immunodeficiency Virus (HIV) still represents a global public health issue of major concern, and would benefit from unveiling unique viral features as targets for drug design. In this respect, HIV-1 integrase (IN), due to the absence of homologs in human cells, is a popular target for the synthesis of novel selective compounds. Moreover, as drug-resistant viral strains are rapidly evolving, the development of novel allosteric inhibitors is acutely required. Recently, we have observed that Kuwanon-L, quinazolinones and thienopyrimidinones containing at least one polyphenol unit, effectively inhibited HIV-1 IN activity. Thus, in the present research, novel dihydroxyphenyl-based thienopyrimidinone derivatives were investigated for their LEDGF/p75-dependent IN inhibitory activity. Our findings indicated a close correlation between the position of the OH group on the phenyl moiety and IN inhibitory activity of these compounds. As catechol may be involved in cytotoxicity, its replacement by other aromatic scaffolds was also exploited. As a result, compounds 21–23, 25 and 26 with enhanced IN inhibitory activity provided good lead candidates, with 25 being the most selective for IN. Lastly, UV spectrometric experiments suggested a plausible allosteric mode of action, as none of the thienopirimidinones showed Mg2+ chelation properties otherwise typical of IN strand transfer inhibitors (INSTIs). Full article
(This article belongs to the Special Issue Organic Synthesis and Medicinal Chemistry, Two Inseparable Partners: Recent Advances in Heterocyclic Chemistry)
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15 pages, 13238 KiB  
Review
Therapies from Thiopeptides
by Hee-Jong Hwang and Marco A. Ciufolini
Molecules 2023, 28(22), 7579; https://doi.org/10.3390/molecules28227579 - 14 Nov 2023
Cited by 1 | Viewed by 1888
Abstract
The first part of this contribution describes solutions that were developed to achieve progressively more efficient syntheses of the thiopeptide natural products, micrococcins P1 and P2 (MP1–MP2), with an eye toward exploring their potential as a source of new antibiotics. Such efforts enabled [...] Read more.
The first part of this contribution describes solutions that were developed to achieve progressively more efficient syntheses of the thiopeptide natural products, micrococcins P1 and P2 (MP1–MP2), with an eye toward exploring their potential as a source of new antibiotics. Such efforts enabled investigations on the medicinal chemistry of those antibiotics, and inspired the development of the kinase inhibitor, Masitinib®, two candidate oncology drugs, and new antibacterial agents. The studies that produced such therapeutic resources are detailed in the second part. True to the theme of this issue, “Organic Synthesis and Medicinal Chemistry: Two Inseparable Partners”, an important message is that the above advances would have never materialized without the support of curiosity-driven, academic synthetic organic chemistry: a beleaguered science that nonetheless has been—and continues to be—instrumental to progress in the biomedical field. Full article
(This article belongs to the Special Issue Organic Synthesis and Medicinal Chemistry, Two Inseparable Partners: Recent Advances in Heterocyclic Chemistry)
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