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Extraction, Isolation, and Identification of Bioactive Compounds from Plants

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

Deadline for manuscript submissions: closed (31 March 2026) | Viewed by 7631

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Dr. Gina Rosalinda De Nicola

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Guest Editor

Research Centre for Vegetables and Ornamental Crops, Council for Agricultural Research and Economics (CREA), Via dei Fiori 8, 51017 Pescia, Italy
Interests: glucosinolate; isothiocyanate; myrosinase; Brassicales; nutraceuticals; biopesticides; biostimulants
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Dr. Sabine Montaut

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Guest Editor

Laurentian University, School of Natural Sciences, 935 Ramsey Lake Road, Sudbury, ON P3E 2C6, Canada
Interests: Brassicales; Malpighiales; glucosinolates; isothiocyanates; phytoalexins; flavonoids; antioxidants; antifungals; biosynthesis; biotransformations

Special Issue Information

Dear Colleagues,

Plants are sources of bioactive natural compounds. Due to the variety of their chemical nature and diverse properties, these substances can be potentially exploited for several applications in different sectors such as agriculture, food, cosmetic, and health industries. The knowledge about the vast natural compound domain is continuously evolving and attracting a community of scientists of several disciplines involved in multidisciplinary research projects.

This Special Issue welcomes research articles and reviews that highlight recent advances in the study of natural compounds, including: their screening in different wild and cultivated plant species, methods for their extraction, isolation, and identification (characterization by mass spectrometry and NMR), in addition to studying their in vitro and in vivo bioactivity; the elucidation of their mechanism of action; the investigation of their stability and functionality for potential practical application in different fields.

Dr. Gina Rosalinda De Nicola
Dr. Sabine Montaut
Guest Editors

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Keywords

natural products
extraction methods
isolation methods
chromatography
chemical characterization
bioactivity
antioxidant
antimicrobial
antiinflammation
bio-guided assay
biopesticides
biostimulants
nutraceuticals

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Published Papers (6 papers)

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16 pages, 938 KB

Open AccessArticle

Antiviral Activity of Essential Oil from Populus balsamifera L. Buds and Its Major Compounds Against Betacoronavirus HCoV-OC43 Using a Sensitive Cytoprotection Assay

by Laurie Girard, Héloïse Côté, Andre Pichette, Josianne Savard, Lionel Ripoll and Jean Legault

Molecules 2026, 31(9), 1496; https://doi.org/10.3390/molecules31091496 - 30 Apr 2026

Viewed by 346

Abstract

Plant-derived products, particularly essential oils, represent a promising source of antiviral scaffolds. Although Populus balsamifera L. has been traditionally used to manage respiratory ailments and infections, the antiviral potential of its bud essential oil remains unexplored. In this study, we evaluated the in vitro antiviral cytoprotective activity of P. balsamifera bud essential oil and its major constituents against HCoV-OC43, a human betacoronavirus associated with seasonal respiratory infections, using a cell-based cytoprotection assay. The assay reliably detected the activity of reference antivirals, including chloroquine (EC₅₀ = 0.11 ± 0.01 µg/mL), molnupiravir, and fluvoxamine, supporting its suitability for antiviral screening. Under these conditions, P. balsamifera bud essential oil exhibited strong cytoprotective activity, with an EC₅₀ of 3.3 ± 0.5 µg/mL. Chemical analysis revealed a sesquiterpene-rich composition. Two major constituents, α-bisabolol and nerolidol, also showed marked cytoprotection, with EC₅₀ values of 2.7 ± 0.3 µg/mL and 2.6 ± 0.4 µg/mL, respectively, supporting their contribution to the overall activity of the oil. To our knowledge, this study provides the first experimental evidence of antiviral cytoprotective activity of P. balsamifera bud essential oil against a human coronavirus and identifies α-bisabolol and nerolidol as active compounds in this model. Full article

(This article belongs to the Special Issue Extraction, Isolation, and Identification of Bioactive Compounds from Plants)

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18 pages, 2502 KB

Open AccessArticle

Quantitative Profiling of Phenolic Constituents in Hypericum perforatum L. via HPLC–PDA and HPLC–ECD: A Chemometric Approach

by Andrin Tahiri, Zamir Damani and Dritan Topi

Molecules 2025, 30(19), 3854; https://doi.org/10.3390/molecules30193854 - 23 Sep 2025

Cited by 1 | Viewed by 1127

Abstract

(1) Background: Medicinal plants are widely used in folk medicine. Hypericum perforatum L. (St. John’s wort) is a medicinal plant that is used domestically and exported to other countries. This study addresses the need to develop methods for determining the composition and content of St. John’s wort to determine its biological activity. (2) Methods: High-performance liquid chromatography (HPLC) equipped with an Electrochemical Detector (ECD) and a Photodiode Array Detector (PDA) was employed to identify and quantify major phenolic compounds—gallic acid, catechin, epicatechin, hyperoside, quercetin, and hyperforin—in extracted and lyophilized St. John’s wort flower; stem; and leaf samples. Key analytes exhibited linear responses across both detection systems, within a quantification range of 0.5–10 µg/mL. (3) Results: The PDA method, validated according to ICH Q2(R1) guidelines, demonstrated specificity, linearity, precision, and accuracy, with limits of detection (LOD) ranging from 0.24 to 0.61 µg/mL and limits of quantification (LOQ) between 0.26 and 0.62 µg/mL. PDA effectively identified gallic acid, epicatechin, hyperoside, quercetin, and hyperforin, although catechin was not detected. ECD yielded comparable compound levels across the samples. (4) Conclusions: The novelty of this study lies in identifying the influence of climatic factors associated with the altitude at which St. John’s wort is grown on the content and ratio of biologically active components. Overall, the chemometric approach demonstrates the utility of raw chromatographic data in distinguishing samples by plant part and geographic origin; even when traditional compound-based comparisons may be limited. Full article

(This article belongs to the Special Issue Extraction, Isolation, and Identification of Bioactive Compounds from Plants)

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21 pages, 1183 KB

Open AccessArticle

Effect of Different Arnica montana L. Plant Parts on the Essential Oil Composition, Antimicrobial Activity, and Synergistic Interactions with Antibiotics

by Piotr Sugier, Danuta Sugier, Małgorzata Miazga-Karska, Aleksandra Nurzyńska, Beata Król, Łukasz Sęczyk and Radosław Kowalski

Molecules 2025, 30(18), 3812; https://doi.org/10.3390/molecules30183812 - 19 Sep 2025

Cited by 4 | Viewed by 2069

Abstract

Arnica montana L. (mountain arnica) is a medicinal plant with diverse biological activities commonly used in pharmacy and cosmetics. The attributes of A. montana are related to e.g., the concentration and chemical composition of its essential oils (EOs). Therefore, the objective of this study was to: (i) characterize the chemical composition of EOs obtained from mountain arnica flower heads, rhizomes, and roots used as a pharmacopoeial material, (ii) demonstrate the effects of particular EO types and their combinations on antibacterial activity, and (iii) demonstrate the effect of the presence of A. montana EOs and their combinations with commercial antibiotics on their antibacterial activity. Essential oils obtained by hydrodistillation from different parts of A. montana were screened for their chemical composition and antibacterial properties. The chemical composition of the EOs was determined using the GC–MS technique. E-caryophyllene, caryophyllene oxide, germacrene D, farnesyl acetate, and dodecanal were the main components of the EO distilled from the flower heads. In turn, 2,5-dimethoxy-p-cymene, 2,6-diisopropylanisole, p-methoxyheptanophenone, and thymol methyl ether were the main molecules detected in the EO from the A. montana rhizomes and roots. The data clearly indicate that the presence of mountain arnica EO alone and in the interaction with commercial antibiotics (amoxicillin, ciprofloxacin, metronidazole) has a beneficial effect on their antibacterial activity. Full article

(This article belongs to the Special Issue Extraction, Isolation, and Identification of Bioactive Compounds from Plants)

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16 pages, 2560 KB

Open AccessArticle

Brassinin Induces H₂S Signals and Improves Vascular Smooth Muscle Cell Functions

by Jazmin Fergani, Xiaoli Han, Zhuping Jin, Yanxi Pei, Sabine Montaut and Guangdong Yang

Molecules 2025, 30(18), 3775; https://doi.org/10.3390/molecules30183775 - 17 Sep 2025

Viewed by 1109

Abstract

Brassinin, a sulfur-containing phytoalexin, exerts anticancer and anti-inflammatory effects. Hydrogen sulfide (H₂S) is an important gasotransmitter with significant cardioprotective properties. The effects of brassinin on H₂S signaling and vascular smooth muscle cell (SMC) functions remain unexplored. This study found that brassinin protected against angiotensin II (Ang II)-induced SMC dysfunctions. These effects included the attenuation of excessive cell proliferation, migration, and oxidative stress; and upregulation of smooth muscle contractile protein expressions; and down-regulation of inflammatory gene expressions. Notably, brassinin did not directly release H₂S under the tested conditions; instead, it stimulated endogenous H₂S synthesis in cultured SMCs by inducing the expression of cystathionine gamma-lyase (CSE), a key H₂S-generating enzyme. Further mechanistic investigations revealed that brassinin may bind to the transcription factor C/EBPβ and enhance its interaction with the CSE promoter, thereby upregulating CSE transcription. In conclusion, our findings demonstrate that brassinin protects against SMC dysfunction, at least in part, by activating H₂S signaling rather than acting as a direct H₂S donor. These results provide new insights into the potential of brassinin as a therapeutic agent for improving vascular health and preventing cardiovascular diseases. Full article

(This article belongs to the Special Issue Extraction, Isolation, and Identification of Bioactive Compounds from Plants)

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13 pages, 1735 KB

Open AccessArticle

Selective Activity of Chrysin-6-C-Fucopyranoside from Cyclanthera pedata Toward Peroxisome Proliferator-Activated Receptor Gamma

by Marco Zuccolo, Angela Bassoli, Gigliola Borgonovo, Luca Giupponi, Annamaria Giorgi, Aniello Schiano Moriello and Fabio Arturo Iannotti

Molecules 2025, 30(7), 1626; https://doi.org/10.3390/molecules30071626 - 5 Apr 2025

Viewed by 1395

Abstract

Caigua (Cyclanthera pedata (L.) Schrad.) is a traditional herbal remedy traditionally used in Latin America for its health benefits and to treat metabolic disorders, including diabetes. Despite interest in its herbal use, the phytochemical properties of caigua’s secondary metabolites are poorly known. This study aimed to isolate the main flavone glycosides from the leaves of caigua landrace cultivated in the Camonica Valley (Italy) using flash chromatography and evaluate their potential activity toward peroxisome proliferator-activated receptors (PPARs) and transient receptor potential (TRP) ion channels through luciferase and intracellular calcium assays. We found that the caigua species-specific flavone glycoside, chrysin-6-C-fucopyranoside, showed potent and selective activity toward PPARγ, with no effects on other PPAR subtypes or TRP channels. These findings indicate that the caigua plant could offer a safer alternative to conventional PPARγ agonists, whose use as antidiabetic drugs is limited by severe side effects that currently restrict the clinical use of conventional PPAR agonists. Full article

(This article belongs to the Special Issue Extraction, Isolation, and Identification of Bioactive Compounds from Plants)

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19 pages, 4539 KB

Open AccessBrief Report

Characterization of the Composition and Immunoregulatory Activity of Wheat Cell Culture-Derived Polysaccharides

by Alima Murtazina, Pol Rodríguez-Martínez, Dylan J. Crawshaw, Carme Caelles, Anel Tarabayeva, Elmira Bitanova, Nadezhda Ibragimova, Polina Mikshina, Tatyana Gorshkova, Gordon J. McDougall, Houria Boulaiz, Nazira Bishimbayeva and Annabel F. Valledor

Molecules 2026, 31(9), 1540; https://doi.org/10.3390/molecules31091540 - 6 May 2026

Viewed by 8

Abstract

Plant polysaccharides can exert immunomodulatory activities. In this study we provided chemical characterization of wheat cell culture-derived polysaccharides (WCCPS) and assessed their capacity to modulate inflammatory responses in mouse macrophages. The total sample (T-010) contained arabinogalactans, arabinans, glucans and xyloglucans. Fractionation by anion-exchange chromatography rendered a bound acidic fraction (B-010) and an unbound neutral fraction (UB-010). The B-010 fraction was enriched in arabinogalactans and arabinans, with some galactans, homogalacturonans, and arabinoxylans. The neutral UB-010 fraction was composed of glucans and xyloglucans. None of the WCCPS preparations triggered cytokine production on their own, but each potentiated different macrophage responses to bacterial lipopolysaccharide (LPS). The total WCCPS in T-010 increased LPS-induced tumor necrosis factor-alpha (TNF-α) and interleukin (IL)-6 secretion, whereas the acidic arabinogalactan-rich fraction B-010 boosted IL-6 release and selectively upregulated nitric oxide synthase 2 (Nos2) and cholesterol 25-hydroxylase (Ch25h) expression in response to LPS. In contrast, the neutral UB-010 fraction enhanced IL-6 levels and induced Nos2 expression without altering Ch25h expression. These results suggest that WCCPS can modulate distinct aspects of the inflammatory response, with their effects shaped by their composition and structural features. Future research will focus on elucidating the molecular mechanisms underlying the immunomodulatory activity of WCCPS. Full article

(This article belongs to the Special Issue Extraction, Isolation, and Identification of Bioactive Compounds from Plants)

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