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Phytochemical Investigation of Bioactive Constituents from Medicinal 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 (30 April 2026) | Viewed by 11461

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Dr. Agnieszka Szewczyk

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Guest Editor

Department of Medicinal Plant and Mushroom Biotechnology, Faculty of Pharmacy, Jagiellonian University Medical College, 30-688 Krakow, Poland
Interests: plant biotechnology; phytochemistry; pharmaceutical botany; HPLC analyses
Special Issues, Collections and Topics in MDPI journals

Dr. Inga Kwiecien

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Guest Editor

Department of Medicinal Plant and Mushroom Biotechnology, Faculty of Pharmacy, Jagiellonian University Medical College, 30-688 Krakow, Poland
Interests: plant biotechnology; phytochemistry; pharmaceutical botany; biochemistry
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Natural products have been used for years to prevent and treat many diseases. Due to their rich and diverse chemical composition, medicinal plants are very intensively used in this area. There is still a huge demand for research on the chemical composition of plant materials, methods of isolating metabolites, their biological activity, their bioavailability, and their metabolism. Our Special Issue aims to create a forum for presenting the latest research in this field and presenting the achievements in this area to date in the form of review articles. It will be extremely valuable to present research on the chemical composition and biological activity of plant materials from various sources—natural sites, crops, and in vitro cultures. Research on isolated metabolites, their activity, the possibility of chemical structure transformations, bioavailability, and metabolism are also interesting.

We look forward to your contribution to this special issue.

Dr. Agnieszka Szewczyk
Dr. Inga Kwiecien
Guest Editors

Manuscript Submission Information

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Keywords

primary metabolites
secondary metabolites
biological activity
phytochemistry
natural products
HPLC-analysis
spectral analysis
medicinal plants

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Published Papers (6 papers)

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Research

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22 pages, 3778 KB

Open AccessArticle

Polyphenol Diversity and Chemotype Variation in Origanum majorana and Related Species: Implications for Chemotaxonomic Differentiation, Standardisation and Genotype Selection

by Brigitte Lukas, Johannes Novak, Magdalena Neumüller, Jennifer Romana Valek, Salme Ahmed, Zehra Aytaç and Ahmet Gümüşçü

Molecules 2026, 31(9), 1531; https://doi.org/10.3390/molecules31091531 - 5 May 2026

Viewed by 731

Abstract

This study presents a multivariate assessment of the qualitative and quantitative composition of polyphenolic compounds across six Origanum species, including wild and commercial O. majorana, the three other species of section Majorana (O. dubium, O. syriacum and O. onites), and the more distantly related O. minutiflorum and O. vulgare. Methanolic extracts from 657 plants representing 59 populations were analysed by HPLC. A total of 122 constituents were consistently detected, 20 major peaks were selected for detailed evaluation, and eight key constituents were quantified using external standards. Wild O. majorana was characterised by high proportions of arbutin, apigenin 6,8-di-glucopyranoside, luteolin 7-glucuronide, apigenin 7-glucuronide, rosmarinic acid, salvianolic acid B, blumeatin, and two additional flavonoid-like constituents requiring further structural elucidation. Principal component analysis separated wild and commercial O. majorana and distinguished O. majorana, the three overlapping clusters of O. onites, O. dubium and O. syriacum, as well as O. minutiflorum and O. vulgare, reflecting marked interspecific differences in dominant compound classes. Origanum majorana and O. vulgare were richer in phenolic acids, whereas O. dubium, O. syriacum, and O. onites contained higher levels of flavonoid glycosides. Several genotypes accumulated exceptionally high concentrations of arbutin, apigenin 6,8-di-glucopyranoside, rosmarinic acid, or salvianolic acid B. These results establish a robust chemotaxonomic framework for distinguishing Origanum species and pinpoint high polyphenol genotypes as candidates for breeding, quality standardisation, and targeted follow-up studies on antioxidant and other bioactivities. Full article

(This article belongs to the Special Issue Phytochemical Investigation of Bioactive Constituents from Medicinal Plants)

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23 pages, 2220 KB

Open AccessArticle

Amaryllidaceae Alkaloids and Phenolic Acids Identification in Leucojum aestivum L. Plant Cultures Exposed to Different Temperature Conditions

by Agata Ptak, Marzena Warchoł, Emilia Morańska, Dominique Laurain-Mattar, Rosella Spina, François Dupire, Piotr Waligórski and Magdalena Simlat

Molecules 2026, 31(2), 258; https://doi.org/10.3390/molecules31020258 - 12 Jan 2026

Viewed by 970

Abstract

Amaryllidaceae alkaloids are of notable pharmacological relevance. For instance, galanthamine is used in the treatment of Alzheimer’s disease, while other alkaloids (lycorine, crinine, etc.) derived from Amaryllidaceae plants are also of great interest because they exhibit antitumour, antiviral, antibacterial, antifungal, antimalarial, analgesic and cytotoxic properties. Phenolic acids comprise a group of natural bioactive substances that have commercial value in the cosmetic, food and medicinal industries due to their antioxidant, anticancer, anti-inflammatory and cardioprotective potential. In the present study, the effect of temperature (15, 20, 25 and 30 °C) on Amaryllidaceae alkaloid and phenolic acid biosynthesis in Leucojum aestivum in vitro plant cultures was investigated. The highest diversity of alkaloids (i.e., galanthamine, crinan-3-ol, demethylmaritidine, crinine, 11-hydroxyvitattine, lycorine, epiisohaemanthamine, chlidanthine) was noted in plants cultured at 30 °C. By contrast, ismine and tazettine were only present in plants cultured at 15 °C. Temperatures of 20 °C and 30 °C were found to stimulate galanthamine accumulation. The highest lycorine content was noted in plants grown at temperatures of 15 and 30 °C, and it was negatively correlated with the expression of the gene that encodes the cytochrome P450 96T (CYP96T) enzyme which catalyses a key step in the biosynthesis of different types of Amaryllidaceae alkaloids. This observation may reflect temperature-induced shifts in metabolic flux among different branches of Amaryllidaceae alkaloid biosynthesis. The observed stimulating effect of a 15 °C temperature on the chlorogenic, caffeic, p-coumaric, sinapic, ferulic and isoferulic acid content was in line with the highest expression of a gene that encodes the tyrosine decarboxylase (TYDC) enzyme, which is involved in plant stress response mechanisms. At 30 °C, however, the highest content of the caffeic, vanillic, p-coumaric and isoferulic acids was noted. Full article

(This article belongs to the Special Issue Phytochemical Investigation of Bioactive Constituents from Medicinal Plants)

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18 pages, 3147 KB

Open AccessArticle

PlantForm-Grown Shoots of Rhaponticum carthamoides (Willd.) Iljin as a Source of Caffeoylquinic Acid Derivatives and Antioxidant Potential of Shoot Extract

by Ewa Skała and Agnieszka Kicel

Molecules 2025, 30(24), 4724; https://doi.org/10.3390/molecules30244724 - 10 Dec 2025

Viewed by 667

Abstract

Rhaponticum carthamoides (Maral root) is an important medicinal plant species in Siberia and Kazakhstan. The aim of this study was to evaluate the effect of cultivation time (three or five weeks) and immersion frequency (i.e., every 1.5 h, 3 h, or 6 h) on the growth of R. carthamoides shoots in a temporary immersion PlantForm bioreactor; it examines the effect of cultivation on the accumulation and productivity of caffeoylquinic acid derivatives, shoot biomass and propagation. Both growth time and frequency of immersion affected the increase in biomass and phenolic compound production. The highest dry weight (9.35 g/L) was observed for shoots grown for five weeks and immersed every 1.5 h; optimal synthesis (4.5 mg/g DW) and productivity of caffeoylquinic acid derivatives (16 mg per bioreactor) was noted following immersion every three hours. The main class of synthesized compounds was mono-caffeoylquinic acid derivatives (3.3 mg/g DW; 11.85 mg/bioreactor) with chlorogenic acid predominating (2.9 mg/g DW; 10.4 mg/bioreactor), as determined by HPLC-PDA. The antioxidant activity of bioreactor-grown shoot extract was assessed in vitro using three cell-free assay systems: hydroxyl radical (OH^•) scavenging, hydrogen peroxide (H₂O₂) reduction, and superoxide anion (O₂^•−) scavenging. Our findings indicate that the PlantForm bioreactor can be successfully used to grow R. carthamoides shoots and produce valuable caffeoylquinic acid derivatives. Full article

(This article belongs to the Special Issue Phytochemical Investigation of Bioactive Constituents from Medicinal Plants)

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23 pages, 737 KB

Open AccessArticle

Influence of Plant-Based Substrate Composition and Extraction Method on Accumulation of Bioactive Compounds in Hericium erinaceus (Bull.) Pers. Fruiting Bodies

by Katarzyna Kała, Małgorzata Cicha-Jeleń, Katarzyna Sułkowska-Ziaja, Beata Ostachowicz, Ewa Węgrzynowicz, Jan Lazur, Agnieszka Szewczyk and Bożena Muszyńska

Molecules 2025, 30(15), 3094; https://doi.org/10.3390/molecules30153094 - 24 Jul 2025

Cited by 3 | Viewed by 3471

Abstract

The selection of plant-based substrates for mushroom cultivation is a key factor influencing their growth and metabolism. The aim of this study was to demonstrate, in an innovative approach, differences in the content of biologically active compounds, bioelements, and antioxidant properties of Hericium erinaceus (Bull.) Pers. cultivated on various plant-based substrates derived from waste materials, specifically hemp straw and beech sawdust. Another objective was to compare various extraction methods in terms of their impact on the concentration of these compounds. Elemental analysis was performed using the TXRF method, while bioactive constituents were determined using the DAD/UV RP-HPLC technique. The plant-based substrate and extraction method influenced the levels of obtained metabolites. Dual extraction with moderate ethanol concentrations was most effective for isolating key bioactive compounds from H. erinaceus—notably ergothioneine, lovastatin, L-phenylalanine, and ergosterol—while antioxidant activity did not correlate with the concentration of the solvent used. Although dual extracts enhanced certain antioxidants and metabolites, whole fruiting bodies contained higher levels of bioelements. Overall, fruiting bodies grown on beech sawdust had greater amounts of most bioactive compounds compared to those cultivated on hemp straw, emphasizing that both substrate choice and extraction method critically influence the mushroom’s bioactive profile and its potential health benefits. Full article

(This article belongs to the Special Issue Phytochemical Investigation of Bioactive Constituents from Medicinal Plants)

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19 pages, 11997 KB

Open AccessArticle

Identification and Characterization of Volatile Organic Compounds Based on GC-IMS Technology in Different Organs of Lilium brownii var. viridulum and After Bud-Removal and Non-Bud-Removal Treatments

by Xiaoling Li, Zhihui Wang, Chaowen Hou, Xiujuan Gong, Zexiang Liu, Yuhe Shi, Jianye Yan and Qiaozhen Tong

Molecules 2025, 30(6), 1238; https://doi.org/10.3390/molecules30061238 - 10 Mar 2025

Cited by 4 | Viewed by 1826

Abstract

Lilium brownii var. viridulum (Longya lily) is a widely used medicinal and culinary plant in China that is valued for its potential applications and development opportunities. The bulbs of Longya lily contain a variety of active components; volatile oil, as one of the main biologically active compounds, has been widely studied, and the stems, leaves, and flowers of Longya lily are also rich in volatile organic compounds (VOCs) and related pharmacological effects, but the horizontal comparison of different organs of lily plants is lacking. In order to promote the sustainable development of resources, the composition characteristics and differences of bulbs, stems, leaves, and flowers, as well as two crop management methods (bud-removal and non-bud-removal), were comprehensively studied by GC-IMS technology in this study. Additionally, multivariate statistical analyses were used to identify the key components responsible for the observed differences among the plant organs and treatments. The research identified a total of 93 volatile organic compounds in Longya lily samples, primarily consisting of aldehydes, alcohols, ketones, and esters. If the VOCs of Longya lily are to be used as raw materials, it is advisable to choose flowers and leaves with a higher concentration of these components for harvesting. Notably, bulbs that were non-bud-removal exhibited a greater total content of volatile flavor substances compared to those that were treated with bud removal, with hexanal-D and (E)-2-hexenal-D being the most prevalent volatile organic compounds. This study provided theoretical support for the harvesting parts and crop management methods of Longya lily based on volatile organic compounds and promoted the high-quality development of the Longya lily industry. Full article

(This article belongs to the Special Issue Phytochemical Investigation of Bioactive Constituents from Medicinal Plants)

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Review

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39 pages, 1821 KB

Open AccessFeature PaperReview

Hairy Roots as Producers of Coumarins, Lignans, and Xanthones

by Janusz Malarz, Iga Ryngwelska and Anna Stojakowska

Molecules 2025, 30(17), 3596; https://doi.org/10.3390/molecules30173596 - 3 Sep 2025

Cited by 1 | Viewed by 2718

Abstract

Despite the great structural diversity, plant lignans, coumarins, and xanthones share numerous biological activities, ranging from antimicrobial, anti-inflammatory, and antioxidant to antineoplastic and neuroprotective. The compounds, products of the shikimic acid biosynthetic pathway, also play an important role in plant–environment interactions. In a search for sustainable and renewable sources of these valuable plant products, numerous in vitro culture systems were investigated, including hairy root cultures. The Rhizobium rhizogenes-transformed root cultures of over 40 plant species representing 17 families of the plant kingdom were studied in this respect. The present review focuses on the hairy roots that may be efficient producers of valuable plant products with the prospect of use in the pharmaceutical, food, or cosmetics industry. In vitro culture systems based on hairy roots, which were used to elucidate the biosynthesis pathways of the high-added-value plant compounds, were also considered. Full article

(This article belongs to the Special Issue Phytochemical Investigation of Bioactive Constituents from Medicinal Plants)

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