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Antifungal Compounds - Natural and Synthetic Approaches
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Antifungal Compounds - Natural and Synthetic Approaches

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

Deadline for manuscript submissions: closed (15 November 2022) | Viewed by 20762

Special Issue Editors

Prof. Dr. Robert Ancuceanu

E-Mail Website
Guest Editor
Faculty of Pharmacy, Carol Davila University of Medicine and Pharmacy, 020956 Bucharest, Romania
Interests: drug development; drug discovery; phytochemistry; QSAR; molecular docking; data analysis; pharmaceutical law and ethics
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Cristina Elena Dinu-Pîrvu

E-Mail Website
Guest Editor
Department of Physical and Colloidal Chemistry, Faculty of Pharmacy, Carol Davila University of Medicine and Pharmacy Bucharest, 6 Traian Vuia Str., 020956 Bucharest, Romania
Interests: QSAR; drug discovery; herbal products; bioinformatics; computational biology; phytochemistry; data analysis

Special Issue Information

Dear Colleagues,

Although fungi tend to be opportunists, targeting only a fraction of the human population, fungal infections may have a serious clinical impact, causing over 1.5 million deaths each year. As for bacteria, the widespread use of antifungal medicinal products has selected in time resistant pathogens. Fungal resistance to therapeutic agents is part of the larger phenomenon of microbial resistance and thus, one of the key 10 global health issues of interest identified by the World Health Organization for 2021. The small number of antifungal classes and the emergence of multidrug-resistant strains is particularly worrying. Although a multi-faceted approach is necessary to preserve the effectiveness of currently available antifungals, the need for improving the available products and for developing new antifungal medicinal products with improved safety profiles and new mechanisms of activity, remain obvious. New compounds with known mechanisms of action may provide better or different safety profiles or improved pharmacokinetic profiles. Finding compounds able to synergize available compounds or improved formulations could also prove a useful option. Discovering compounds acting on novel fungal targets, such as those from the fungal aspartate pathway, Gwt1, CaRib1, Pho88, bromodomain, and others, as well as compounds acting through novel mechanisms, such as inducing reactive oxygen species or inhibiting biofilm formation seem promising, although as in other drug development cases, absence of disappointment or roadblocks cannot be guaranteed. Many plant extracts and natural pure compounds have been tested against a variety of fungal species, with different results and they may represent an alternative pathway leading to clinical development of novel antifungal medicinal products. It has been suggested in the literature that combining multiple natural compounds or sources, with relatively high minimal inhibitory concentrations on microbial species might also ensure better effectiveness in the fight against infections. Papers exploring antifungal development, particularly antifungal screening, antifungal target identification, molecular mechanisms involved in efficacy or safety aspects, physicochemical properties, and structure-activity relationships, will be considered for this Special Issue.

Prof. Dr. Robert Ancuceanu
Prof. Dr. Cristina Elena Dinu-Pîrvu
Guest Editors

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Keywords

  • antifungal compounds
  • antifungal molecular targets
  • chemical synthesis
  • natural compounds
  • structure-activity relationship

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Published Papers (6 papers)

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Research

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18 pages, 2742 KiB  
Article
Exploration of Novel Scaffolds Targeting Cytochrome b of Pyricularia oryzae
by Cecilia Pinna, Tommaso Laurenzi, Fabio Forlani, Luca Palazzolo, Claire Beatrice Nolan, Michael S. Christodoulou, Paolo Cortesi, Andrea Pinto, Ivano Eberini, Andrea Kunova and Sabrina Dallavalle
Int. J. Mol. Sci. 2023, 24(3), 2705; https://doi.org/10.3390/ijms24032705 - 31 Jan 2023
Cited by 2 | Viewed by 2058
Abstract
The fulfilment of the European “Farm to Fork” strategy requires a drastic reduction in the use of “at risk” synthetic pesticides; this exposes vulnerable agricultural sectors—among which is the European risiculture—to the lack of efficient means for the management of devastating diseases, thus [...] Read more.
The fulfilment of the European “Farm to Fork” strategy requires a drastic reduction in the use of “at risk” synthetic pesticides; this exposes vulnerable agricultural sectors—among which is the European risiculture—to the lack of efficient means for the management of devastating diseases, thus endangering food security. Therefore, novel scaffolds need to be identified for the synthesis of new and more environmentally friendly fungicides. In the present work, we employed our previously developed 3D model of P. oryzae cytochrome bc1 (cyt bc1) complex to perform a high-throughput virtual screening of two commercially available compound libraries. Three chemotypes were selected, from which a small collection of differently substituted analogues was designed and synthesized. The compounds were tested as inhibitors of the cyt bc1 enzyme function and the mycelium growth of both strobilurin-sensitive (WT) and -resistant (RES) P. oryzae strains. This pipeline has permitted the identification of thirteen compounds active against the RES cyt bc1 and five compounds that inhibited the WT cyt bc1 function while inhibiting the fungal mycelia only minimally. Serendipitously, among the studied compounds we identified a new chemotype that is able to efficiently inhibit the mycelium growth of WT and RES strains by ca. 60%, without inhibiting the cyt bc1 enzymatic function, suggesting a different mechanism of action. Full article
(This article belongs to the Special Issue Antifungal Compounds - Natural and Synthetic Approaches)
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17 pages, 8737 KiB  
Article
Phytochemical Profiling of Sambucus nigra L. Flower and Leaf Extracts and Their Antimicrobial Potential against Almond Tree Pathogens
by Eva Sánchez-Hernández, Joaquín Balduque-Gil, Vicente González-García, Juan J. Barriuso-Vargas, José Casanova-Gascón, Jesús Martín-Gil and Pablo Martín-Ramos
Int. J. Mol. Sci. 2023, 24(2), 1154; https://doi.org/10.3390/ijms24021154 - 6 Jan 2023
Cited by 12 | Viewed by 3430
Abstract
Despite extensive research on the chemical composition of elderberries and their numerous uses in pharmaceutical, beverage, and food production, there is still a lack of knowledge about Sambucus nigra leaves and flowers’ antimicrobial activity against plant pathogens. In this study, the phytoconstituents of [...] Read more.
Despite extensive research on the chemical composition of elderberries and their numerous uses in pharmaceutical, beverage, and food production, there is still a lack of knowledge about Sambucus nigra leaves and flowers’ antimicrobial activity against plant pathogens. In this study, the phytoconstituents of their aqueous ammonia extracts were first characterized by infrared spectroscopy and gas chromatography–mass spectrometry. The major phytocompounds identified in the flower extract were octyl 2-methylpropanoate; 3,5-dihydroxy-6-methyl-2,3-dihydropyran-4-one; propyl malonic acid; adenine; and 1-methyl-2-piperidinemethanol. Concerning the leaf extract, 1,6-anhydro-β-D-glucopyranose; oleic acid; 2,1,3-benzothiadiazole; 2,3-dihydro-benzofuran; and 4-((1E)-3-hydroxy-1-propenyl)-2-methoxyphenol and other phenol derivatives were the main constituents. The potential of the extracts to act as bioprotectants was then investigated against three almond tree pathogens: Diaporthe amygdali, Phytophthora megasperma, and Verticillium dahliae. In vitro tests showed higher activity of the flower extract, with EC90 values in the 241–984 μg·mL−1 range (depending on the pathogen) vs. 354–1322 μg·mL−1 for the leaf extract. In addition, the flower extract led to full protection against P. megasperma at a dose of 1875 μg·mL−1 in ex situ tests on artificially-infected excised almond stems. These inhibitory concentrations were lower than those of commercial fungicides. These findings suggest that S. nigra aerial organs may be susceptible to valorization as an alternative to synthetic fungicides for the protection of this important crop. Full article
(This article belongs to the Special Issue Antifungal Compounds - Natural and Synthetic Approaches)
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16 pages, 1884 KiB  
Article
Holm Oak (Quercus ilex subsp. ballota (Desf.) Samp.) Bark Aqueous Ammonia Extract for the Control of Invasive Forest Pathogens
by Eva Sánchez-Hernández, Joaquín Balduque-Gil, Juan J. Barriuso-Vargas, José Casanova-Gascón, Vicente González-García, José Antonio Cuchí-Oterino, Belén Lorenzo-Vidal, Jesús Martín-Gil and Pablo Martín-Ramos
Int. J. Mol. Sci. 2022, 23(19), 11882; https://doi.org/10.3390/ijms231911882 - 6 Oct 2022
Cited by 11 | Viewed by 2528
Abstract
Holm oak (Quercus ilex subsp. ballota (Desf.) Samp.) bark is a commonly used remedy to treat gastrointestinal disorders, throat and skin infections, hemorrhages, and dysentery. It has also been previously reported that its methanol extracts possess antibacterial activity, which can be related [...] Read more.
Holm oak (Quercus ilex subsp. ballota (Desf.) Samp.) bark is a commonly used remedy to treat gastrointestinal disorders, throat and skin infections, hemorrhages, and dysentery. It has also been previously reported that its methanol extracts possess antibacterial activity, which can be related to the richness of Quercus spp. extracts in phenolic compounds, such as flavonoids and tannins. However, there is no information on the antifungal (including oomycete) properties of the bark from Q. ilex or its subspecies (ilex and ballota). In this work, we report the characterization of the aqueous ammonia extract of its bark by FTIR and GC-MS and the results of in vitro and ex situ inhibition tests against three phytopathogens. The main phytochemical components identified were inositols (19.5%), trans-squalene (13%), 4-butoxy-1-butanol (11.4%), gulopyranose (9.6%), lyxose (6.5%), 2,4-dimethyl-benzo[H]quinoline (5.1%), catechol (4.5%), and methoxyphenols (4.2%). The efficacy of the extract in controlling forest phytopathogens was tested in vitro against Fusarium circinatum (responsible for pitch canker of Pinus spp.), Cryphonectria parasitica (which causes chestnut blight), and Phytophthora cinnamomi (which causes ‘root and crown rot’ in a variety of hosts, including Castanea, conifers, Eucalyptus, Fagus, Juglans, Quercus, etc.), obtaining EC90 values of 322, 295, and 75 μg·mL−1, respectively, much lower than those attained for a commercial strobilurin fungicide (azoxystrobin). The extract was further tested ex situ against P. cinnamomi on artificially inoculated, excised stems of ‘Garnem’ almond rootstock, attaining complete protection at a dose of 782 μg·mL−1. The results suggest that holm oak bark extract may be a promising source of bioactive compounds against invasive forest pathogens, including the oomycete that is causing its decline, the so-called ‘seca’ in Spain. Full article
(This article belongs to the Special Issue Antifungal Compounds - Natural and Synthetic Approaches)
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Review

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21 pages, 1122 KiB  
Review
Potential Antifungal Targets for Aspergillus sp. from the Calcineurin and Heat Shock Protein Pathways
by Robert Ancuceanu, Marilena Viorica Hovaneț, Maria Cojocaru-Toma, Adriana-Iuliana Anghel and Mihaela Dinu
Int. J. Mol. Sci. 2022, 23(20), 12543; https://doi.org/10.3390/ijms232012543 - 19 Oct 2022
Cited by 4 | Viewed by 2661
Abstract
Aspergillus species, especially A. fumigatus, and to a lesser extent others (A. flavus, A. niger, A. terreus), although rarely pathogenic to healthy humans, can be very aggressive to immunocompromised patients (they are opportunistic pathogens). Although survival rates for such infections [...] Read more.
Aspergillus species, especially A. fumigatus, and to a lesser extent others (A. flavus, A. niger, A. terreus), although rarely pathogenic to healthy humans, can be very aggressive to immunocompromised patients (they are opportunistic pathogens). Although survival rates for such infections have improved in recent decades following the introduction of azole derivatives, they remain a clinical challenge. The fact that current antifungals act as fungistatic rather than fungicide, that they have limited safety, and that resistance is becoming increasingly common make the need for new, more effective, and safer therapies to become more acute. Over the last decades, knowledge about the molecular biology of A. fumigatus and other Aspergillus species, and particularly of calcineurin, Hsp90, and their signaling pathway proteins, has progressed remarkably. Although calcineurin has attracted much interest, its adverse effects, particularly its immunosuppressive effects, make it less attractive than it might at first appear. The situation is not very different for Hsp90. Other proteins from their signaling pathways, such as protein kinases phosphorylating the four SPRR serine residues, CrzA, rcnA, pmcA-pmcC (particularly pmcC), rfeF, BAR adapter protein(s), the phkB histidine kinase, sskB MAP kinase kinase, zfpA, htfA, ctfA, SwoH (nucleoside diphosphate kinase), CchA, MidA, FKBP12, the K27 lysine position from Hsp90, PkcA, MpkA, RlmA, brlA, abaA, wetA, other heat shock proteins (Hsp70, Hsp40, Hsp12) currently appear promising and deserve further investigation as potential targets for antifungal drug development. Full article
(This article belongs to the Special Issue Antifungal Compounds - Natural and Synthetic Approaches)
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27 pages, 963 KiB  
Review
Antimicrobial Peptides with Anti-Candida Activity
by Aitzol Perez-Rodriguez, Elena Eraso, Guillermo Quindós and Estibaliz Mateo
Int. J. Mol. Sci. 2022, 23(16), 9264; https://doi.org/10.3390/ijms23169264 - 17 Aug 2022
Cited by 25 | Viewed by 5035
Abstract
Mycoses are accountable for millions of infections yearly worldwide. Invasive candidiasis is the most usual, presenting a high morbidity and mortality. Candida albicans remains the prevalent etiologic agent, but the incidence of other species such as Candida parapsilosis, Candida glabrata and Candida [...] Read more.
Mycoses are accountable for millions of infections yearly worldwide. Invasive candidiasis is the most usual, presenting a high morbidity and mortality. Candida albicans remains the prevalent etiologic agent, but the incidence of other species such as Candida parapsilosis, Candida glabrata and Candida auris keeps increasing. These pathogens frequently show a reduced susceptibility to commonly used antifungal drugs, including polyenes, triazoles and echinocandins, and the incidence of emerging multi-drug-resistant strains of these species continues to increase. Therefore, the need to search for new molecules that target these pathogenic species in a different manner is now more urgent than ever. Nature is an almost endless source of interesting new molecules that could meet this need. Among these molecules, antimicrobial peptides, present in different sources in nature, possess some advantages over conventional antifungal agents, even with their own drawbacks, and are considered as a promising pharmacological option against a wide range of microbial infections. In this review, we describe 20 antimicrobial peptides from different origins that possess an activity against Candida. Full article
(This article belongs to the Special Issue Antifungal Compounds - Natural and Synthetic Approaches)
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36 pages, 2912 KiB  
Review
Molecular Mapping of Antifungal Mechanisms Accessing Biomaterials and New Agents to Target Oral Candidiasis
by Valentina Anuța, Marina-Theodora Talianu, Cristina-Elena Dinu-Pîrvu, Mihaela Violeta Ghica, Răzvan Mihai Prisada, Mădălina Georgiana Albu Kaya and Lăcrămioara Popa
Int. J. Mol. Sci. 2022, 23(14), 7520; https://doi.org/10.3390/ijms23147520 - 7 Jul 2022
Cited by 9 | Viewed by 3678
Abstract
Oral candidiasis has a high rate of development, especially in immunocompromised patients. Immunosuppressive and cytotoxic therapies in hospitalized HIV and cancer patients are known to induce the poor management of adverse reactions, where local and systemic candidiasis become highly resistant to conventional antifungal [...] Read more.
Oral candidiasis has a high rate of development, especially in immunocompromised patients. Immunosuppressive and cytotoxic therapies in hospitalized HIV and cancer patients are known to induce the poor management of adverse reactions, where local and systemic candidiasis become highly resistant to conventional antifungal therapy. The development of oral candidiasis is triggered by several mechanisms that determine oral epithelium imbalances, resulting in poor local defense and a delayed immune system response. As a result, pathogenic fungi colonies disseminate and form resistant biofilms, promoting serious challenges in initiating a proper therapeutic protocol. Hence, this study of the literature aimed to discuss possibilities and new trends through antifungal therapy for buccal drug administration. A large number of studies explored the antifungal activity of new agents or synergic components that may enhance the effect of classic drugs. It was of significant interest to find connections between smart biomaterials and their activity, to find molecular responses and mechanisms that can conquer the multidrug resistance of fungi strains, and to transpose them into a molecular map. Overall, attention is focused on the nanocolloids domain, nanoparticles, nanocomposite synthesis, and the design of polymeric platforms to satisfy sustained antifungal activity and high biocompatibility with the oral mucosa. Full article
(This article belongs to the Special Issue Antifungal Compounds - Natural and Synthetic Approaches)
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