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Extraction, Isolation and Characterization of Bioactive Compounds from Plants
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Extraction, Isolation and Characterization of Bioactive Compounds from Plants

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 3507

Special Issue Editors

Dr. Jelena Lazarević

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Guest Editor
Department of Chemistry, Faculty of Medicine, University of Niš, Bulevar Dr Zorana Đinđića 81, 18000 Niš, Serbia
Interests: organic and medicinal chemistry; phytochemistry; structural characterization; enzymology; biological activity of secondary metabolites of plants
Dr. Gordana Stojanovic

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Guest Editor
Department of Chemistry, Faculty of Sciences and Mathematics, University of Niš, Višegradska 33, 18000 Niš, Serbia
Interests: organic chemistry; structural characterization; phytochemistry; biological activity of secondary metabolites of plants; lichens and mushrooms

Special Issue Information

Dear Colleagues,

The collective experience gained throughout human history and modern science show that bioactive compounds extracted from plants offer untapped opportunities for the discovery of bioactive metabolites involving new chemical entities and drug-active pharmaceuticals. The identification of these components and the determination of their health benefits are extremely attractive scientific research pursuits. Even though drug discovery from medicinal plants remains an important source of novel therapeutic leads, various hurdles exist, including the continuous search for convenient extraction methods, the development and execute on of suitable high-throughput screening bioassays, the scaling up of the supply of bioactive molecules, and the acquisition of plant materials. Moreover, with the development of novel molecular targets such as those based on proteins, there is an increasing demand for new chemical diversification in screening.

This Special Issue of Plants, highlighting the function, evolution, and diversity of secondary metabolites, will be focused on the latest developments in high-throughput and efficient analytical approaches, which have enabled the identification of plant-derived compounds, the establishment of new protocols for the assessment of biological activity, and the development of methods for the extraction, isolation, and structural characterization of new bioactive components with nutraceutical and pharmaceutical potential.

Dr. Jelena Lazarević
Dr. Gordana Stojanovic
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

  • plant secondary metabolites
  • terpenoids
  • flavonoids and allied phenolic and polyphenolic compounds
  • nitrogen- and sulphur-containing compounds
  • analytical strategies for bioactive compound identification and quantification
  • in vivo and in vitro bioactivity of compounds from plant sources

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Published Papers (4 papers)

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Research

21 pages, 2767 KB  
Article
Phytochemistry and Allelopathic Properties of Invasive Heracleum sosnowskyi Aqueous Extracts Against Lettuce (Lactuca sativa L.), Perennial Ryegrass (Lolium perenne L.), Timothy (Phleum pratense L.) and White Clover (Trifolium repens L.)
by Asta Judžentienė, Aistė Kundrotaitė, Tatjana Charkova and Irena Nedveckytė
Plants 2026, 15(3), 346; https://doi.org/10.3390/plants15030346 - 23 Jan 2026
Viewed by 19
Abstract
Heracleum sosnowskyi is considered to be a dangerous invasive plant species that has successfully naturalized within a variety of plant communities across numerous countries. As a result of its superior competitiveness, the alien species is able to displace the indigenous species from their [...] Read more.
Heracleum sosnowskyi is considered to be a dangerous invasive plant species that has successfully naturalized within a variety of plant communities across numerous countries. As a result of its superior competitiveness, the alien species is able to displace the indigenous species from their native habitats, thus changing the ecosystems and decreasing biodiversity. The phytochemicals present in the H. sosnowskyi aqueous extracts were revealed using GC/MS and HPLC/DAD/TOF techniques. Isopsoralen, methoxsalen, (iso)pimpinellin and/or bergapten were determined to be major compounds in the leaf, inflorescence and root extracts. Glutaric, quinic, linolenic, (iso)chlorogenic and other polyphenolic acids were identified in the extracts. Furthermore, a number of furanocoumarins, including hermandiol, bakuchicin, candinols (A and C) and candibirin F, and coumarins, umbelliferone and yunngnins (A and B), were identified in the roots. Additionally, the presence of flavonoids, including astragalin, quercetin 7,3,4-trimethyl ether, nicotiflorin and rutin, has been detected in the flower and leaf extracts. Allelopathic effects of H. sosnowskyi aqueous extracts were tested on four model plants, lettuce (Lactuca sativa L.) and three native Lithuanian meadow herbs, perennial ryegrass (Lolium perenne L.), timothy (Phleum pratense L.) and white clover (Trifolium repens L.), using the Petri dish method. H. sosnowskyi flower and leaf extracts demonstrated the strongest inhibitory effects on the germination and growth of the tested plant seeds. At the highest relative concentrations, 0.5 and 1.0, extracts of Sosnowsky’s hogweed inflorescences inhibited timothy seedling growth by 95.47% (from 19.64 ± 2.57 mm to 0.89 ± 0.73 mm) and 100%, respectively. The leaf extracts exhibited the strongest inhibitory effects on white clover seedlings. The highest relative concentrations tested (0.5 and 1.0) suppressed clover seedling growth by 94.66% (from 41.22 ± 2.53 mm to 2.20 ± 0.63 mm) and 100%, respectively. Additionally, the germination rate and vigor index of model plants were assessed. The research is of significance for the regulation and monitoring of the spreading of aggressive H. sosnowskyi plants. Moreover, it is important for the development of natural herbicides based on active phytotoxic compounds from these plants. Full article
(This article belongs to the Special Issue Extraction, Isolation and Characterization of Bioactive Compounds from Plants)
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18 pages, 11734 KB  
Article
Lavandula stoechas subsp. luisieri (Rozeira) Rozeira: Variability of Chemical Composition of Essential Oil in Wild Populations
by Francisco Márquez-García, David García-Alonso, María del Carmen García-Custodio and Francisco María Vázquez-Pardo
Plants 2025, 14(22), 3435; https://doi.org/10.3390/plants14223435 - 10 Nov 2025
Viewed by 778
Abstract
Lavandula stoechas subsp. luisieri (Rozeira) Rozeira is an aromatic shrub endemic to the south-west of the Iberian Peninsula. It is distinguished by being the only species of lavender that contains necrodol derivatives in its essential oil. This study aims to evaluate the diversity [...] Read more.
Lavandula stoechas subsp. luisieri (Rozeira) Rozeira is an aromatic shrub endemic to the south-west of the Iberian Peninsula. It is distinguished by being the only species of lavender that contains necrodol derivatives in its essential oil. This study aims to evaluate the diversity of the chemical composition of L. stoechas subsp. luisieri essential oil and how it differs from essential oils of other lavender species with which it shares its habitat and with which it can hybridize. The variability in the chemical composition of L. stoechas subsp. luisieri essential oil has been evaluated across 66 populations distributed among 14 areas in southwestern Iberian Peninsula. The main compounds present in the essential oil of L. stoechas subsp. luisieri are trans-α-necrodyl acetate (20.68 ± 4.17%), 1,8-cineole (7.79 ± 7.14%) and trans-α-necrodol (8.66 ± 2.18%). Other compounds may occasionally be present in percentages greater than 6.00%, such as α-cadinol, linalool, lavandulyl acetate, fenchone and camphor. Two essential oil types have been identified in the essential oil of L. stoechas subsp. luisieri: (1) trans-α-necrodyl acetate-1,8-cineole, and (2) trans-α-necrodyl acetate, with little or no presence of 1,8-cineole. Furthermore, the absence or very low percentage of camphor (0.16–7.61%) and fenchone (0.00–7.39%) has been confirmed as a unique characteristic of this essential oil. The obtained results provide clear differentiation of the essential oil of L. stoechas subsp. luisieri, thus enabling more accurate studies to be carried out on its bioactive properties, which are of great interest to industry. Full article
(This article belongs to the Special Issue Extraction, Isolation and Characterization of Bioactive Compounds from Plants)
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23 pages, 5060 KB  
Article
Exploring the Therapeutic Potential and Toxicological Risks of Four Ethnomedicinal Plants from Hakkâri (Southeastern Turkey): A First Comprehensive Analytical and Microstructural Evaluation
by Gül Görmez
Plants 2025, 14(21), 3243; https://doi.org/10.3390/plants14213243 - 22 Oct 2025
Viewed by 921
Abstract
Medicinal plants have long been used for therapeutic purposes in the mountainous Hakkâri region of southeastern Türkiye. This study presents an integrated toxicological risk and therapeutic assessment of four ethnomedicinal species—Daphne mucronata Royle, Ferula communis L., Heracleum persicum Desf., and Tragopogon coloratus [...] Read more.
Medicinal plants have long been used for therapeutic purposes in the mountainous Hakkâri region of southeastern Türkiye. This study presents an integrated toxicological risk and therapeutic assessment of four ethnomedicinal species—Daphne mucronata Royle, Ferula communis L., Heracleum persicum Desf., and Tragopogon coloratus C.A.Mey—based on their flavonoid and phenolic composition, elemental content, and antioxidant capacity. To the best of our knowledge, this is the first study to integrate multiple analytical platforms—including HPLC, ICP-OES, AAS, UV-Vis spectrophotometry, and SEM/EDX—to assess both the therapeutic potential and toxicological risks of these ethnomedicinal species. Although a complete phytochemical profile was not the objective of this study, selected phenolic compounds and antioxidant capacity were evaluated to highlight bioactivity, while heavy metal-based risk assessment was prioritized given public health relevance. Antioxidant capacity was measured using DPPH, ABTS, and CUPRAC assays, while human health risks were quantified through Estimated Daily Consumption (EDC), Target Hazard Quotient (THQ), Hazard Index (HI), and Carcinogenic Risk (CR). The results revealed a dual nature: Heracleum persicum exhibited the strongest antioxidant activity, correlating with its high phenolic content, while Daphne mucronata showed elevated toxic metals exceeding WHO/FAO thresholds. Overall, the findings emphasize the importance of combining ethnobotanical knowledge with robust analytical tools for safe medicinal plant usage. Full article
(This article belongs to the Special Issue Extraction, Isolation and Characterization of Bioactive Compounds from Plants)
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22 pages, 2355 KB  
Article
Chitosan Nanoparticles Entrapping Aqueous Psidium guajava L. Leaf Extracts: A Promising Approach for Topically Treating Disorders in Oral Mucosa
by Renata Paula Coppini Almeida, Samuel Leite Cardoso, Seila Tolentino, Artur Fiuza Borges Arantes, Isabella Souza Mota, Guilherme Martins Gelfuso, Felipe Saldanha-Araujo, Eliete Neves Silva Guerra, Yanna Karla Medeiros Nobrega, Christopher William Fagg, Dâmaris Silveira, Yris Maria Fonseca-Bazzo and Pérola Oliveira Magalhães
Plants 2025, 14(19), 3099; https://doi.org/10.3390/plants14193099 - 8 Oct 2025
Viewed by 1159
Abstract
Psidium guajava L. (Myrtaceae) is a neotropical species whose leaf extracts demonstrate efficacy against cutaneous and mucosal inflammation and ulceration. This study aimed to prepare and characterize aqueous extracts of P. guajava leaves (EAPG) and incorporate them into chitosan nanoparticles for topical delivery [...] Read more.
Psidium guajava L. (Myrtaceae) is a neotropical species whose leaf extracts demonstrate efficacy against cutaneous and mucosal inflammation and ulceration. This study aimed to prepare and characterize aqueous extracts of P. guajava leaves (EAPG) and incorporate them into chitosan nanoparticles for topical delivery to the oral mucosa. The extract was obtained by infusion, and its marker compound was quantified by a chromatographic method. EAPG exhibited antioxidant activity (IC50: 6.35–7.01 µg/mL in DPPH•; FRAP: 14.42–17.83 µg/mL ≈ 60 µM Fe2+) and anti-inflammatory potential by modulating the expression of IL-6. It also showed antifungal activity against Candida species. Nanoparticles loaded with EAPG had a mean diameter of 899.8 ± 10.8 nm, PdI 0.22 ± 0.03, Zeta potential +32.4 ± 2.3 mV, pH 5.0, and 62 ± 1% encapsulation efficiency. They remained stable for 30 days. In an ex vivo topical application, EAPG nanoparticles delivered 415.17 ± 71.7 µg/cm2 of marker to the oral mucosa, eight times more than free EAPG (p < 0.05). These results suggest that chitosan-based EAPG nanoparticles are a promising strategy for topical treatment of mucosal disorders. Full article
(This article belongs to the Special Issue Extraction, Isolation and Characterization of Bioactive Compounds from Plants)
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