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Bioactive Molecules of Natural Origin: Mechanisms of Action Related to Health Risks and Benefits—3rd Edition

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

Deadline for manuscript submissions: closed (20 February 2025) | Viewed by 12699

Special Issue Editor

Prof. Dr. Marie-Laure Fauconnier

E-Mail Website
Guest Editor
Laboratory of Chemistry of Natural Molecules, Gembloux Agro-Bio Tech, University of Liège, Passage des Déportés 2, 5030 Gembloux, Belgium
Interests: essential oil; VOCs; oxylipins for applications in agronomy and food science
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Bioactive natural compounds (such as alkaloids, phenolics, terpenes, saponins, and volatile organic compounds) are increasingly used for their antioxidant, anti-inflammatory, bactericidal, fungicidal and virucidal properties for the benefit of human health. Moreover, they are found in a growing number of applications, such as cosmetics and wellness; but also in sectors where they were not traditionally used such as food preservation, household products and in the field of plant-protection products in agronomy. The number of publications treating bioactive natural compounds has increased significantly in recent years, but many publications are essentially descriptive.

The aim of this Special Issue is to study, at a molecular level, the mechanisms of action of bioactive natural compounds in their various beneficial properties to human health or to other domains and to carry out a rigorous assessment of the risks (toxicity, allergies, for example). This knowledge will contribute to a more rational and safer use of these compounds in the many sectors where they are employed.

Prof. Dr. Marie-Laure Fauconnier
Guest Editor

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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

  • natural compounds
  • alkaloids
  • phenolics
  • terpenes
  • saponins
  • essential oils
  • volatile organic compounds
  • mechanisms of action
  • health risk
  • antioxidant
  • anti-inflammatory
  • bactericide
  • fungicide
  • virucidal properties
  • cosmetics
  • plant protection products

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Related Special Issue

Published Papers (7 papers)

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Research

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22 pages, 3681 KiB  
Article
Composition, Antimicrobial, Anti-Inflammatory, and Potential Neuroprotective Activities of Volatile Oils in Solid Wood Boards from Different Tree Ages of Cryptomeria japonica
by Churan Li, Boxiao Wu, Weihua Wang, Xiaoqin Yang, Xiaojian Zhou, Yingjun Zhang, Xiaoping Rao, Cheng Yang and Ping Zhao
Int. J. Mol. Sci. 2025, 26(6), 2400; https://doi.org/10.3390/ijms26062400 - 7 Mar 2025
Viewed by 526
Abstract
The wood of Cryptomeria japonica (Japanese cedar or sugi) is widely used in building and adornment. This study aims to identify the composition of the volatile oils (VOs) extracted from C. japonica solid wood boards by gas chromatography–mass spectroscopy, and to investigate their [...] Read more.
The wood of Cryptomeria japonica (Japanese cedar or sugi) is widely used in building and adornment. This study aims to identify the composition of the volatile oils (VOs) extracted from C. japonica solid wood boards by gas chromatography–mass spectroscopy, and to investigate their antimicrobial, anti-inflammatory, and potential neuroprotective activities. A total of 58 volatile organic compounds (VOCs) were identified in the VOs from C. japonica solid wood boards with tree ages of 40, 50, and 60 years (VO-40, 50, and 60), with sandaracopimarinol (13.74–17.59%), ferruginol (10.23–11.29%), abieta-7,13-diene (8.20–13.66%), (+)-δ-cadinene (7.15–9.27%), cis-cubenol (4.36–6.36%), and sandaracopimarinal (3.23–6.04%) as major compounds. The VOs exhibited antifungal potential, especially VO-50 against Aspergillus fumigatus (MIC = 0.312 mg/mL), and VO-60 against Gloeophyllum trabeum (MIC = 1.25 mg/mL). However, VOs exhibited weak antibacterial activity (MIC > 10 mg/mL). Additionally, VOs (10 μg/mL) exhibited anti-inflammatory and potential neuroprotective activities, with VO-60 demonstrating the strongest inhibition of NO (25.79% reduction), TNF-α (52.24% reduction), and IL-6 (27.10% reduction) production in lipopolysaccharide-induced RAW264.7 cells, while increasing cell viability by 70.36% and reducing lactate dehydrogenase release by 41.10% in corticosterone-induced PC12 cells. Correlation and docking analyses revealed that sandaracopimarinal, sandaracopimarinol, β-eudesmol, and ferruginol were the potential active compounds. The results demonstrated that the volatile components from C. japonica solid wood boards not only enhance the board’s decay resistance, but also exhibit therapeutic potential for inflammatory disorders and neuropathic diseases. Full article
(This article belongs to the Special Issue Bioactive Molecules of Natural Origin: Mechanisms of Action Related to Health Risks and Benefits—3rd Edition)
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20 pages, 534 KiB  
Article
Antiplasmodial Activity of a New Chemotype of Croton sylvaticus Hochst. Ex C. Krauss Essential Oil
by Pierre Leonel K. Tafokeu Taguimjeu, Yannick Stéphane Fotsing Fongang, Manon Genva, Lahngong Methodius Shinyuy, Jana Held, Michel Frederich, Silvère Augustin Ngouela and Marie-Laure Fauconnier
Int. J. Mol. Sci. 2025, 26(2), 858; https://doi.org/10.3390/ijms26020858 - 20 Jan 2025
Viewed by 869
Abstract
Croton sylvaticus, a tropical African plant, is traditionally used to treat several diseases, including fever, inflammation, and malaria. Essential oils (EOs) from the plant’s leaves, roots, and trunk bark were obtained by hydrodistillation, and their chemical composition was analyzed by gas chromatography–mass [...] Read more.
Croton sylvaticus, a tropical African plant, is traditionally used to treat several diseases, including fever, inflammation, and malaria. Essential oils (EOs) from the plant’s leaves, roots, and trunk bark were obtained by hydrodistillation, and their chemical composition was analyzed by gas chromatography–mass spectrometry (GC-MS). The major constituents identified were virdiflorene (18.13 ± 0.46%) in root EO, (E)-β-caryophyllene (18.40 ± 0.60%) in trunk bark EO, and farnesyl acetone (15.26 ± 0.25%) in leaf EO. Notably, Cameroonian C. sylvaticus leaf EO exhibited a distinct and newly described chemotype with high levels of farnesyl acetone, β-copaene-4-α-ol, β-cadinene, α-humulene, and trans-longipinocarveol. In vitro testing revealed significant antiplasmodial activity against Plasmodium falciparum asexual (Pf3D7) and sexual (NF-54 strain) stages, with trunk bark EO showing the highest potency (IC50: 9.06 ± 2.15 µg/mL for Pf3D7 and 0.56 µg/mL for gametocytes). These findings support the traditional antimalarial use of C. sylvaticus and represent the first chemical profile and antiplasmodial efficacy report for its root and trunk bark EOs against both parasite stages. To the best of our knowledge, we also report for the first time the antiplasmodial activity of an EO that exerts significant activity against both the asexual and sexual forms of P. falciparum. Full article
(This article belongs to the Special Issue Bioactive Molecules of Natural Origin: Mechanisms of Action Related to Health Risks and Benefits—3rd Edition)
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15 pages, 1510 KiB  
Article
Effect of Silibinin on Human Pancreatic Lipase Inhibition and Gut Microbiota in Healthy Volunteers: A Randomized Controlled Trial
by Cristina Ponce Martínez, Elena Murcia García, Horacio Pérez Sánchez, Fermín I. Milagro, José I. Riezu-Boj, Bruno Ramos Molina, María Gómez Gallego, Salvador Zamora, Rubén Cañavate Cutillas and Juan José Hernández Morante
Int. J. Mol. Sci. 2024, 25(23), 12853; https://doi.org/10.3390/ijms252312853 - 29 Nov 2024
Viewed by 1287
Abstract
Thistle (Onopordum acanthium) has been traditionally employed for liver protection. However, we recently identified silibinin, the main bioactive compound of thistle extract, as an in vitro pancreatic lipase inhibitor, which suggested a potential role as an anti-obesity agent. This study aimed [...] Read more.
Thistle (Onopordum acanthium) has been traditionally employed for liver protection. However, we recently identified silibinin, the main bioactive compound of thistle extract, as an in vitro pancreatic lipase inhibitor, which suggested a potential role as an anti-obesity agent. This study aimed to assess, in vivo, the efficacy, safety, and effects of silibinin on human lipase. As a secondary objective, we evaluated potential changes in gut microbiota after silibinin treatment. A randomized trial comparing 150 mg/silibinin, 300 mg/silibinin, and a thistle extract (equivalent to 150 mg/silibinin) with placebo and orlistat/120 mg was conducted. Fecal fat excretion, clinical parameters, and microbiota changes were analyzed. Orlistat showed the highest fecal fat excretion, although thistle extract had similar results (p = 0.582). The 150 mg/silibinin group reported the fewest adverse effects. Both silibinin and orlistat reduced plasma triglycerides (p = 0.016) and waist circumference (p = 0.001). Specific microbiota changes, such as increases in Mycobacteriaceae and Veillonellaceae, were associated with higher fat excretion. Although the present work was conducted in the short term and in people of normal weight, our results suggest that silibinin may be safe and effective for obesity, with minimal adverse effects and no significant changes in microbiota diversity. Further studies are needed to explore its microbiota-related benefits. Full article
(This article belongs to the Special Issue Bioactive Molecules of Natural Origin: Mechanisms of Action Related to Health Risks and Benefits—3rd Edition)
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16 pages, 8492 KiB  
Article
A Bioinformatic Assay of Quercetin in Gastric Cancer
by Sergio Raúl Zúñiga-Hernández, Trinidad García-Iglesias, Monserrat Macías-Carballo, Alejandro Pérez-Larios, Yanet Karina Gutiérrez-Mercado, Gabriela Camargo-Hernández and Christian Martín Rodríguez-Razón
Int. J. Mol. Sci. 2024, 25(14), 7934; https://doi.org/10.3390/ijms25147934 - 20 Jul 2024
Viewed by 1458
Abstract
Gastric cancer (GC) remains a significant global health challenge, with high mortality rates, especially in developing countries. Current treatments are invasive and have considerable risks, necessitating the exploration of safer alternatives. Quercetin (QRC), a flavonoid present in various plants and foods, has demonstrated [...] Read more.
Gastric cancer (GC) remains a significant global health challenge, with high mortality rates, especially in developing countries. Current treatments are invasive and have considerable risks, necessitating the exploration of safer alternatives. Quercetin (QRC), a flavonoid present in various plants and foods, has demonstrated multiple health benefits, including anticancer properties. This study investigated the therapeutic potential of QRC in the treatment of GC. We utilized advanced molecular techniques to assess the impact of QRC on GC cells, examining its effects on cellular pathways and gene expression. Our findings indicate that QRC significantly inhibits GC cell proliferation and induces apoptosis, suggesting its potential as a safer therapeutic option for GC treatment. Further research is required to validate these results and explore the clinical applications of QRC in cancer therapy. Full article
(This article belongs to the Special Issue Bioactive Molecules of Natural Origin: Mechanisms of Action Related to Health Risks and Benefits—3rd Edition)
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30 pages, 2488 KiB  
Article
Bioactivity of Eugenol: A Potential Antibiotic Adjuvant with Minimal Ecotoxicological Impact
by Natalia Ferrando, María Rosa Pino-Otín, Eva Terrado, Diego Ballestero and Elisa Langa
Int. J. Mol. Sci. 2024, 25(13), 7069; https://doi.org/10.3390/ijms25137069 - 27 Jun 2024
Viewed by 1569
Abstract
Combining commercial antibiotics with adjuvants to lower their minimum inhibitory concentration (MIC) is vital in combating antimicrobial resistance. Evaluating the ecotoxicity of such compounds is crucial due to environmental and health risks. Here, eugenol was assessed as an adjuvant for 7 commercial antibiotics [...] Read more.
Combining commercial antibiotics with adjuvants to lower their minimum inhibitory concentration (MIC) is vital in combating antimicrobial resistance. Evaluating the ecotoxicity of such compounds is crucial due to environmental and health risks. Here, eugenol was assessed as an adjuvant for 7 commercial antibiotics against 14 pathogenic bacteria in vitro, also examining its acute ecotoxicity on various soil and water organisms (microbiota, Vibrio fischeri, Daphnia magna, Eisenia foetida, and Allium cepa). Using microdilution methods, checkerboard assays, and kinetic studies, the MICs for eugenol were determined together with the nature of its combinations with antibiotics against bacteria, some unexposed to eugenol previously. The lethal dose for the non-target organisms was also determined, as well as the Average Well Color Development and the Community-Level Physiological Profiling for soil and water microbiota. Our findings indicate that eugenol significantly reduces MICs by 75 to 98%, which means that it could be a potent adjuvant. Ecotoxicological assessments showed eugenol to be less harmful to water and soil microbiota compared to studied antibiotics. While Vibrio fischeri and Daphnia magna were susceptible, Allium cepa and Eisenia foetida were minimally affected. Given that only 0.1% of eugenol is excreted by humans without metabolism, its environmental risk when used with antibiotics appears minimal. Full article
(This article belongs to the Special Issue Bioactive Molecules of Natural Origin: Mechanisms of Action Related to Health Risks and Benefits—3rd Edition)
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Review

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20 pages, 3618 KiB  
Review
Flavonoids as Promising Natural Compounds for Combating Bacterial Infections
by Ying Liu, Jiajia Zhu, Zhenyi Liu, Yan Zhi, Chen Mei and Hongjun Wang
Int. J. Mol. Sci. 2025, 26(6), 2455; https://doi.org/10.3390/ijms26062455 - 10 Mar 2025
Cited by 1 | Viewed by 1612
Abstract
The increasing emergence and dissemination of multidrug-resistant (MDR) bacterial pathogens have intensified the need for new antibiotics and alternative therapeutic strategies. Flavonoids, a diverse group of bioactive natural compounds found in plants, have shown significant promise as antibacterial agents. Flavonoids inhibit bacterial growth [...] Read more.
The increasing emergence and dissemination of multidrug-resistant (MDR) bacterial pathogens have intensified the need for new antibiotics and alternative therapeutic strategies. Flavonoids, a diverse group of bioactive natural compounds found in plants, have shown significant promise as antibacterial agents. Flavonoids inhibit bacterial growth through various mechanisms, including disruption of cell wall synthesis, prevention of biofilm formation, disruption of cell membrane integrity, and inhibition of bacterial efflux pumps. These actions not only reduce bacterial viability but also enhance the efficacy of conventional antibiotics, offering a potential solution to antibiotic resistance. However, challenges such as poor bioavailability limit their clinical application. Recent advances in nanotechnology-based drug delivery systems, chemical modifications, and formulation techniques have shown promise in improving flavonoid bioavailability and therapeutic efficacy. This review evaluates the antibacterial mechanisms of flavonoids, explores their potential synergistic effects with antibiotics, and highlights strategies to overcome bioavailability issues. Our findings underscore the importance of continued research on flavonoids as promising candidates for innovative antibacterial therapies aimed at combating MDR bacterial infections. Full article
(This article belongs to the Special Issue Bioactive Molecules of Natural Origin: Mechanisms of Action Related to Health Risks and Benefits—3rd Edition)
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23 pages, 672 KiB  
Review
Does Resveratrol Improve Metabolic Dysfunction-Associated Steatotic Liver Disease (MASLD)?
by Kamila Kasprzak-Drozd, Przemysław Niziński, Paulina Kasprzak, Adrianna Kondracka, Tomasz Oniszczuk, Agata Rusinek and Anna Oniszczuk
Int. J. Mol. Sci. 2024, 25(7), 3746; https://doi.org/10.3390/ijms25073746 - 27 Mar 2024
Cited by 17 | Viewed by 4359
Abstract
Metabolic dysfunction-associated steatotic liver disease (MASLD) is influenced by a variety of factors, including environmental and genetic factors. The most significant outcome is the alteration of free fatty acid and triglyceride metabolism. Lipotoxicity, impaired autophagy, chronic inflammation, and oxidative stress, as well as [...] Read more.
Metabolic dysfunction-associated steatotic liver disease (MASLD) is influenced by a variety of factors, including environmental and genetic factors. The most significant outcome is the alteration of free fatty acid and triglyceride metabolism. Lipotoxicity, impaired autophagy, chronic inflammation, and oxidative stress, as well as coexisting insulin resistance, obesity, and changes in the composition of gut microbiota, are also considered crucial factors in the pathogenesis of MASLD. Resveratrol is a polyphenolic compound that belongs to the stilbene subgroup. This review summarises the available information on the therapeutic effects of resveratrol against MASLD. Resveratrol has demonstrated promising antisteatotic, antioxidant, and anti-inflammatory activities in liver cells in in vitro and animal studies. Resveratrol has been associated with inhibiting the NF-κB pathway, activating the SIRT-1 and AMPK pathways, normalizing the intestinal microbiome, and alleviating intestinal inflammation. However, clinical studies have yielded inconclusive results regarding the efficacy of resveratrol in alleviating hepatic steatosis or reducing any of the parameters found in MASLD in human patients. The lack of homogeneity between studies, low bioavailability of resveratrol, and population variability when compared to animal models could be the reasons for this. Full article
(This article belongs to the Special Issue Bioactive Molecules of Natural Origin: Mechanisms of Action Related to Health Risks and Benefits—3rd Edition)
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