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Phytochemical Characterization and Bioactivity of Medicinal Plants: From Analytical Techniques...
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Phytochemical Characterization and Bioactivity of Medicinal Plants: From Analytical Techniques to Therapeutic Potential

A special issue of Plants (ISSN 2223-7747). This special issue belongs to the section "Phytochemistry".

Deadline for manuscript submissions: 30 June 2026 | Viewed by 2292

Special Issue Editors

Dr. Alejandro Tapia

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Guest Editor
Instituto de Biotecnología-Instituto de Ciencias Básicas, Universidad Nacional de San Juan, Av. Libertador General San Martín 1109 (O), San Juan J5400ARL, Argentina
Interests: medicinal plants; fruits; propolis; isolation; HPLC-MS; biological activity; antioxidant; antimicrobial; characterization of bioactive metabolites by NMR
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Mario Juan Simirgiotis Aguero

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Guest Editor
1. Instituto de Farmacia, Facultad de Ciencias, Universidad Austral de Chile, Campus Isla Teja, Valdivia 5090000, Chile
2. Center for Interdisciplinary Studies on the Nervous System (CISNe), Universidad Austral de Chile, Valdivia 5090000, Chile
Interests: metabolic syndrome; inflammation; cancer; diabetes; antioxidants; metabolomics
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Beatriz Lima

E-Mail Website
Guest Editor
1. Instituto de Biotecnología-Instituto de Ciencias Básicas, Departamento de Ingeniería Agronómica, Universidad Nacional de San Juan (UNSJ), San Juan J5400ARL, Argentina
2. Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Ciudad Autónoma de Buenos Aires C1425FQB, Argentina
Interests: antimicrobial activity; synergism; enzyme inhibition; chemical characterization; biological activity; antioxidants
Dr. Mariana Rey

E-Mail Website
Guest Editor
Laboratorio de Neurobiología, Instituto de Biología y Medicina Experimental (IBYME-CONICET), Vuelta de Obligado 2490, Ciudad Autónoma de Buenos Aires C1428ADN, Argentina
Interests: neurobehavioral effects; anxiety-like behavior; memory and cognition; experimental models (rat, mouse); metabolic disorders; natural compounds/phytomedicine; stress-induced behavior

Special Issue Information

Dear Colleagues,

Medicinal plants and fruits, both wild and cultivars, are a rich source of bioactive compounds with significant potential for human health. Advances in analytical techniques, such as HPLC-MS and NMR, have enabled detailed characterization and metabolomic profiling of complex extracts, revealing phytochemicals with antioxidant, antimicrobial, anti-inflammatory, and anticancer activity. Beyond chemical identification, the study of biological actions in cellular and animal models provides essential information on the mechanisms of action and therapeutic applications of these compounds.

This Special Issue seeks to compile contributions addressing both the phytochemical characterization and biological evaluation of extracts, decoctions, infusions, and metabolites derived from wild and cultivar plants and fruits, as well as derived products such as propolis. Topics include chemical characterization by instrumental methods such as UHPLC-MS and GCMS; the isolation and structural elucidation of known and new molecules by various spectroscopic techniques; their antioxidant and antimicrobial effects; their role in metabolic and inflammatory disorders; and their potential applications in cancer prevention and treatment. Research on the inhibition of enzymes relevant to human health, such as acetylcholinesterase, butyrylcholinesterase, amylase, and glucosidase, is also welcome. Furthermore, we especially encourage studies exploring the metabolic and behavioral effects of medicinal plants, including their influence on anxiety-related behaviors, cognition, and neuroprotection in experimental models.

Submitted manuscripts must not have been previously published or be under review for publication elsewhere.

Dr. Alejandro Tapia
Dr. Mario Juan Simirgiotis Aguero
Prof. Dr. Beatriz Lima
Dr. Mariana Rey
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 250 words) can be sent to the Editorial Office for assessment.

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. Plants 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

  • medicinal plants
  • phytochemical characterization
  • metabolomics
  • bioactive compounds
  • antioxidant
  • antimicrobial
  • anti-inflammatory
  • metabolic disorders
  • neurobehavioral effects

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Published Papers (4 papers)

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Research

17 pages, 1240 KB  
Article
Distinct Nutritional Profiles of Fermented Chamerion angustifolium from Natural, Organic, and Biodynamic Cultivation Systems: Evidence from a Four-Year Study
by Marius Lasinskas, Elvyra Jarienė, Jūratė Staveckienė and Jurgita Kulaitienė
Plants 2026, 15(7), 1074; https://doi.org/10.3390/plants15071074 - 1 Apr 2026
Viewed by 427
Abstract
This four-year study assessed the nutritional profiles of fermented Chamerion angustifolium leaves from natural, organic, and biodynamic cultivation systems. Vitamins, pigments, and sugars were analyzed under standardized aerobic solid-state fermentation (SSF) for 24 and 48 h. Biodynamically grown leaves showed 42.7% and 49.7% [...] Read more.
This four-year study assessed the nutritional profiles of fermented Chamerion angustifolium leaves from natural, organic, and biodynamic cultivation systems. Vitamins, pigments, and sugars were analyzed under standardized aerobic solid-state fermentation (SSF) for 24 and 48 h. Biodynamically grown leaves showed 42.7% and 49.7% higher β-carotene levels than organically and naturally grown leaves, while naturally grown leaves accumulated the most chlorophylls and total sugars. Organic cultivation promoted the highest vitamin C and L-ascorbic acid concentrations. Prolonged fermentation (48 h) significantly enhanced vitamin C (18.48%) and L-ascorbic acid (16.50%) only in naturally grown leaves. These findings demonstrate consistent cultivation-dependent nutritional trends and highlight the functional potential of fireweed leaves as bioactive ingredient carriers for functional foods, with applications in dairy products, beverages, and dietary supplements. Full article
(This article belongs to the Special Issue Phytochemical Characterization and Bioactivity of Medicinal Plants: From Analytical Techniques to Therapeutic Potential)
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19 pages, 2492 KB  
Article
Chemical Profiling and Vascular Effects of a Hydroalcoholic Extract of Calophyllum longifolium Willd: Role of Nitric Oxide and Potassium Channels
by Diego Aravena, Javier Palacios, Cristián A. Véliz-Quezada, Gabriela V. Aguirre-Martínez, Julio Benites, David J. Greensmith, Adrián Paredes, Fredi Cifuentes, Mario J. Simirgiotis, Frank R. León-Vargas, Daniel Asunción-Alvarez, Iván M. Quispe-Díaz and Roberto O. Ybañez-Julca
Plants 2026, 15(4), 594; https://doi.org/10.3390/plants15040594 - 13 Feb 2026
Viewed by 592
Abstract
Calophyllum spp. infusions are used to treat varicose veins, hemorrhoids, and hypertension. However, the chemical composition and mechanisms of action are poorly understood. Accordingly, the aim of this study was to investigate the phytochemical composition and vascular effects of hydroalcoholic extracts of Calophyllum [...] Read more.
Calophyllum spp. infusions are used to treat varicose veins, hemorrhoids, and hypertension. However, the chemical composition and mechanisms of action are poorly understood. Accordingly, the aim of this study was to investigate the phytochemical composition and vascular effects of hydroalcoholic extracts of Calophyllum longifolium. Phytochemical profiling was performed using ultra-high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UHPLC-ESI-Q-TOF-MS). Extract effects on rat aortic rings and aortic vascular smooth muscle cells (VSMCs) were evaluated using wire myography and photometric measurement of intracellular Ca2+, respectively. UHPLC-ESI-Q-TOF-MS revealed the presence of coumarins, xanthones, flavonoids, triterpenes, and phenolic acids. Coumarin–resveratrol hybrids, such as gut-70 derivatives, were also abundant. In aortic rings from normotensive rats, C. longifolium induced a biphasic vascular response whereby low concentrations (1 μg/mL) produced significant vascular relaxation, whereas high concentrations (100 μg/mL) produced contraction. Blockade of ATP-sensitive (KATP) or voltage-gated (KV) potassium channels attenuated these effects. Furthermore, effects were not observed in preparations preincubated with L-NG-Nitro-L-arginine methyl ester (L-NAME) or in endothelium-denuded rings. In aortic VSMCs, extracts (1 µg/mL) rapidly reduced sarcoplasmic reticulum (SR) Ca2+ content. This study provides the first UHPLC-ESI-Q-TOF-MS chemical profile of C. longifolium, revealing diverse bioactive metabolites. It is also the first to demonstrate that C. longifolium exerts an endothelium-dependent, nitric oxide- and Ca2+-mediated biphasic effect on vascular function. Taken together, these findings highlight C. longifolium as a potential novel source of vasculotropic phytopharmaceuticals. Full article
(This article belongs to the Special Issue Phytochemical Characterization and Bioactivity of Medicinal Plants: From Analytical Techniques to Therapeutic Potential)
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22 pages, 4221 KB  
Article
Polyphenolic Profile and Antioxidant and Aortic Endothelium Effect of Michay (Berberis congestiflora Gay) Collected in the Araucanía Region of Chile
by Fredi Cifuentes, Javier Palacios, Astrid Lavado, Javier Romero-Parra, Adrián Paredes and Mario J. Simirgiotis
Plants 2026, 15(3), 352; https://doi.org/10.3390/plants15030352 - 23 Jan 2026
Viewed by 416
Abstract
Berries are an excellent source of bioactive compounds, particularly polyphenols, and have been widely used in folk medicine by the Mapuche people of southern Chile. In this study, a hydroalcoholic extract of Berberis congestiflora Gay (BE) was analyzed to determine its phytochemical composition [...] Read more.
Berries are an excellent source of bioactive compounds, particularly polyphenols, and have been widely used in folk medicine by the Mapuche people of southern Chile. In this study, a hydroalcoholic extract of Berberis congestiflora Gay (BE) was analyzed to determine its phytochemical composition and to evaluate its antioxidant capacity, vasorelaxant effects in rat aortas, and inhibitory activity on enzymes related to chronic non-communicable diseases, including exploration of a possible vasodilatory mechanism in isolated rat aortas. Antioxidant activity was assessed using Oxygen Radical Absorbance Capacity (ORAC), DPPH (2,2-diphenyl-1-picrylhydrazyl), and ABTS (2,2-azinobis-(3-ethylbenzothiazolin-6-sulfonic acid)) radical scavenging assays, as well as ferric reducing antioxidant power (FRAP). Vascular responses to the Berberis extract were studied using isometric tension recordings in an ex vivo rat thoracic aortic ring model, and the chemical constituents of BE were identified for the first time by HPLC-DAD-MS. The extract itself produced a dose-dependent contraction at 100 and 1000 µg/mL and induced relaxation in phenylephrine-precontracted aortas at the same concentrations, with a maximum contraction of 71% and maximum relaxation of 70% at 1000 µg/mL. Mechanistically, the extract triggered calcium-mediated contraction primarily through calcium release from the sarcoplasmic reticulum and, to a lesser degree, via extracellular Ca2+ influx, while its relaxant effect depended on an intact endothelium and activation of the NO/cGMP pathway. In addition, the extract showed inhibitory activity against cholinesterase, glucosidase, and amylase, with IC50 values of 7.33 ± 0.32, 243.23 ± 0.3, and 27.21 ± 0.03 µg/mL, respectively, and docking studies were carried out for selected berry compounds. Overall, these findings indicate that these berries are a rich source of bioactive constituents with antioxidant properties and endothelium-dependent vasodilator effects, supporting their traditional use and highlighting their potential as enzyme inhibitors and as promising candidates for the development of phytotherapeutic products, particularly as supplements for chronic disease management. Full article
(This article belongs to the Special Issue Phytochemical Characterization and Bioactivity of Medicinal Plants: From Analytical Techniques to Therapeutic Potential)
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12 pages, 1525 KB  
Article
Exploring Chemical Composition of the Aerial Parts of Vernoniastrum migeodii and Anti-Inflammatory Activity of the Compounds
by Morteza Yazdani, Dóra Paróczai, Anita Barta, Katalin Burián and Judit Hohmann
Plants 2026, 15(2), 321; https://doi.org/10.3390/plants15020321 - 21 Jan 2026
Viewed by 358
Abstract
Therapeutic strategies that fine-tune epithelial inflammatory responses are highly sought after in respiratory and mucosal disorders, but few molecules selectively target these pathways. Vernoniastrum migeodii (S. Moore) Isawumi (Asteraceae) represents a chemically promising but understudied source of bioactive small molecules. This study aimed [...] Read more.
Therapeutic strategies that fine-tune epithelial inflammatory responses are highly sought after in respiratory and mucosal disorders, but few molecules selectively target these pathways. Vernoniastrum migeodii (S. Moore) Isawumi (Asteraceae) represents a chemically promising but understudied source of bioactive small molecules. This study aimed to define the metabolite profile of V. migeodii and evaluate the modulation of inflammatory epithelial signaling of the constituents. From the methanolic extract of V. migeodii, five germacranolide sesquiterpenes, vernolide (1), 3′-hydroxylvernolide (2), pectorolide (3), 4′-hydroxypectorolide-14-O-acetate (4) and 4′-hydroxypectorolide (5), together with (6S,9R)-vomifoliol (6), eucarvone (7), luteolin (8), and luteolin-7-O-glucoside (9) were isolated by multiple chromatographic separations. The structures were determined by comprehensive 1D and 2D NMR spectroscopy. Isolated compounds 1 to 9 together with previously reported steroids (10–17) and tripeptide (18) were evaluated in LPS-activated A549 cells by quantitative PCR for interleukin-6 (IL6), interleukin-1β (IL1β), and prostaglandin-endoperoxide synthase 2 (PTGS2) and by enzyme-linked immunosorbent assay (ELISA) for IL-6 and IL-8. Compounds 2, 7, steroids 10–17 and aurantiamide acetate (18) reduced IL6 mRNA relative to the LPS control, while (6S,9R)-vomifoliol (6) increased IL-6 and elevated IL-8. In the assay IL1β and PTGS2 transcripts were not significantly altered. These findings highlight the potential of V. migeodii metabolites as modulators of epithelial inflammatory pathways. Combining chemical and biological evidence provides a clear basis for structure–activity- and pathway-focused studies. Full article
(This article belongs to the Special Issue Phytochemical Characterization and Bioactivity of Medicinal Plants: From Analytical Techniques to Therapeutic Potential)
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