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New Insights into Bioactive Compounds from Natural Sources—Second Edition
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New Insights into Bioactive Compounds from Natural Sources—Second Edition

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

Deadline for manuscript submissions: closed (30 September 2025) | Viewed by 6126

Special Issue Editors

Dr. Agnieszka Kicel

E-Mail Website
Guest Editor
Department of Pharmacognosy, Faculty of Pharmacy, Medical University of Lodz, Muszynskiego 1, 90-151 Lodz, Poland
Interests: medicinal and aromatic plants; bioactive compounds; phytochemistry; antioxidants
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Ewa Skała

E-Mail Website
Guest Editor
Department of Biology and Pharmaceutical Botany, Medical University of Lodz, Muszynskiego 1, 90-151 Lodz, Poland
Interests: plant biotechnology; medicinal plants; bioactive compounds; phytochemistry
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Following the success of the Special Issue titled "New Insights into Bioactive Compounds from Natural Sources", we are pleased to announce the launch of a second edition. We cordially invite you to submit original research papers or review articles for consideration in this upcoming publication.

Plants represent a rich source of specialized metabolites with diverse chemical structures that exhibit various biological activities. The beneficial properties of plants have been recognized for centuries, and interest in phytotherapy and natural food supplements continues to grow annually. Increasingly, researchers are investigating medicinal plants as an alternative and valuable source of natural compounds, which are considered safer and less/not toxic compared to synthetic pharmaceuticals. Plants hold considerable potential in the prevention and treatment of various diseases. By characterizing the chemical composition of plant extracts, it is possible to evaluate their safety and bioactivity, thus assessing their potential as natural therapeutic agents.

This Special Issue is open to high-quality original research and review articles that advance the knowledge of recent developments in bioactive plant metabolites. We welcome scientific contributions related to, but not limited to, the following topics:

This Special Issue is open to high-quality original research and review articles that advance the knowledge of recent developments in bioactive plant metabolites. We welcome scientific contributions related to, but not limited to, the following topics:

  • Biosynthesis of specialized metabolites in plants;
  • Isolation and identification of new molecules using modern chromatographic and spectral methods;
  • Qualitative and quantitative profiling of bioactive compounds in plant extracts;
  • Biotechnological strategies to increase the accumulation of phytochemicals in plant in vitro cultures;
  • Biological activity of pure compounds and plant extracts (in vitro and in vivo studies);
  • Structure of compounds and their bioactivity.

Dr. Agnieszka Kicel
Prof. Dr. Ewa Skała
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. Molecules 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

  • bioactive plant-specialized metabolites
  • isolation and identification
  • bioactive compounds
  • qualitative and quantitative profiling
  • biotechnological strategies
  • biological activity
  • structure and bioactivity

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Related Special Issue

Published Papers (4 papers)

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Research

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15 pages, 2979 KB  
Article
A Metabolomics Exploration of Young Lotus Seeds Using Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry Imaging
by Ying Chen, Xiaomeng Xu and Chunping Tang
Molecules 2025, 30(15), 3242; https://doi.org/10.3390/molecules30153242 - 1 Aug 2025
Viewed by 1575
Abstract
Lotus (Nelumbo nucifera Gaertn.) is a quintessential medicinal and edible plant, exhibiting marked differences in therapeutic effects among its various parts. The lotus seed constitutes a key component of this plant. Notably, the entire seed and the plumule display distinct medicinal properties. [...] Read more.
Lotus (Nelumbo nucifera Gaertn.) is a quintessential medicinal and edible plant, exhibiting marked differences in therapeutic effects among its various parts. The lotus seed constitutes a key component of this plant. Notably, the entire seed and the plumule display distinct medicinal properties. To investigate the “homologous plants with different effects” phenomenon in traditional Chinese medicine, this study established a Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry Imaging (MALDI-MSI) method. This study employed immature lotus seeds as the experimental material, diverging from the mature seeds conventionally used. Conductive double-sided tape was employed for sample preparation, and complete longitudinal sections of the seeds were obtained, followed by MALDI-MSI analysis to identify and visualize the spatial distribution of characteristic secondary metabolites within the entire seeds. The results unveiled the diversity of metabolites in lotus seeds and their differential distribution across tissues, with pronounced distinctions in the plumule. A total of 152 metabolites spanning 13 categories were identified in lotus seeds, with 134, 89, 51, and 98 metabolites discerned in the pericarp, seed coat, cotyledon, and plumule, respectively. Strikingly, young lotus seeds were devoid of liensinine/isoliensinine and neferine, the dominant alkaloids of mature lotus seed plumule, revealing an early-stage alkaloid profile that sharply contrasts with the well-documented abundance found in mature seeds and has rarely been reported. We further propose a biosynthetic pathway to explain the presence of the detected benzylisoquinoline and the absence of the undetected bisbenzylisoquinoline alkaloids in this study. These findings present the first comprehensive metabolic atlas of immature lotus seeds, systematically exposing the pronounced chemical divergence from their mature counterparts, and thus lays a metabolomic foundation for dissecting the spatiotemporal mechanisms underlying the nutritional and medicinal value of lotus seeds. Full article
(This article belongs to the Special Issue New Insights into Bioactive Compounds from Natural Sources—Second Edition)
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34 pages, 5631 KB  
Article
Unveiling the Biotechnological Potential of Cyanobacteria from the Portuguese LEGE-CC Collection Through Lipidomics and Antioxidant and Lipid-Lowering Properties
by Flavio Oliveira, Tiago Conde, Marisa Pinho, Tânia Melo, Guilherme Scotta Hentschke, Ralph Urbatzka, Hugo Pereira, Monya Costa, Vitor Vasconcelos and Maria Rosário Domingues
Molecules 2025, 30(12), 2504; https://doi.org/10.3390/molecules30122504 - 7 Jun 2025
Cited by 1 | Viewed by 2639
Abstract
Cyanobacteria are gram-negative prokaryotic microorganisms composed of both broad morphological and phylogenetic diversity inherited from diverse ecosystems like aquatic, terrestrial, or extremophilic environments. In this study, three cyanobacteria strains from the Blue Biotechnology and Ecotoxicology Culture Collection (LEGE-CC) were obtained from different environments [...] Read more.
Cyanobacteria are gram-negative prokaryotic microorganisms composed of both broad morphological and phylogenetic diversity inherited from diverse ecosystems like aquatic, terrestrial, or extremophilic environments. In this study, three cyanobacteria strains from the Blue Biotechnology and Ecotoxicology Culture Collection (LEGE-CC) were obtained from different environments in Portugal. Polyphasic analysis was applied for taxonomic identification. The proximate composition analysis indicated the lipid content (6.2% to 9.1% dry weight (DW)), protein content (28.2% to 62.9% DW), and carbohydrate content (19.5% to 46.1% DW). The fatty acid (FA) profiles of the strains revealed the presence of 19 different FAs, with FA 16:0 found in the highest abundance. The lipidomic analysis revealed 230 lipid species, with Laspinema sp. LEGE 06078 displaying the highest diversity (125 lipid species). These included species-specific and common lipids species that denote biochemical uniqueness that are also carriers of omega-3 FA (n−3). Biological assays exhibited strong antioxidant activity against ABTS•+ and DPPH• in Laspinema sp. LEGE 06078, while Sphaerospermopsis sp. LEGE 00249 was renowned for reducing lipids in zebrafish larvae. The findings are of immense significance on the lipidomics diversity of cyanobacteria in terms of nutrition, health, and biotechnology, such as addressing obesity and sustainable resource production. Full article
(This article belongs to the Special Issue New Insights into Bioactive Compounds from Natural Sources—Second Edition)
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Review

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24 pages, 3732 KB  
Review
Cytotoxic and Antimicrobial Activity of the Ageratina Genus
by Sarai Rojas-Jiménez, David Osvaldo Salinas-Sánchez, Verónica Rodríguez-López, Roberta Salinas-Marín, Dante Avilés-Montes, César Sotelo-Leyva, Rodolfo Figueroa-Brito, Genoveva Bustos Rivera-Bahena, Rodolfo Abarca-Vargas, Dulce María Arias-Ataide and María Guadalupe Valladares-Cisneros
Molecules 2025, 30(23), 4656; https://doi.org/10.3390/molecules30234656 - 4 Dec 2025
Viewed by 127
Abstract
Medicinal plants have long been used for therapeutic purposes in many cultures. They represent sources of important bioactive compounds, often of pharmacological significance. Ageratina Spach is the largest genus in Mexico and is characterised by its traditional use in the treatment of cancer [...] Read more.
Medicinal plants have long been used for therapeutic purposes in many cultures. They represent sources of important bioactive compounds, often of pharmacological significance. Ageratina Spach is the largest genus in Mexico and is characterised by its traditional use in the treatment of cancer and infections of the skin, blood, and intestines. Different species of Ageratina have been biologically evaluated at the extract and compound levels, and their chemical contents have been purified and characterised. Following a PRISMA meta-analysis, 29 scientific reports were selected and analysed. Tables of different Ageratina species were integrated to compare their cytotoxic and antimicrobial activity at the extract and compound levels. Twelve pure and isolated natural compounds were tested for cytotoxic activity against several cell lines from lung, colon, and breast cancer, cervical carcinoma, hepatocarcinoma, promyelocytic leukaemia, and histiocytic lymphoma. Forty-one pure and isolated natural compounds were evaluated for antimicrobial activity against a wide spectrum of microorganisms, including Gram-positive and Gram-negative bacteria, yeast, fungi, parasites and viruses. Ageratina Spach contains cytotoxic and antimicrobial substances with broad chemical profiles. In addition to being a plant with active compounds, it could be useful for future rational drug design. Full article
(This article belongs to the Special Issue New Insights into Bioactive Compounds from Natural Sources—Second Edition)
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41 pages, 7586 KB  
Review
Unlocking the Therapeutic Potential of Ellagitannins: A Comprehensive Review of Key Representatives
by Rositsa Mihaylova, Viktoria Elincheva, Georgi Momekov and Rumyana Simeonova
Molecules 2025, 30(22), 4328; https://doi.org/10.3390/molecules30224328 - 7 Nov 2025
Viewed by 1118
Abstract
The present review offers a comprehensive synthesis of the structural diversity, natural occurrence, and therapeutic promise of key ellagitannins (punicalagin, sanguiin H-6, corilagin, geraniin, oenothein B, chebulagic, and chebulinic acids) within the hydrolyzable ellagitannin pool. Distributed in medicinal and dietary plants long used [...] Read more.
The present review offers a comprehensive synthesis of the structural diversity, natural occurrence, and therapeutic promise of key ellagitannins (punicalagin, sanguiin H-6, corilagin, geraniin, oenothein B, chebulagic, and chebulinic acids) within the hydrolyzable ellagitannin pool. Distributed in medicinal and dietary plants long used in traditional medicine, ellagitannin-rich species serve as sources of both complex polyphenolic scaffolds and their bioactive metabolites, urolithins, which mediate many of their health-promoting effects. Special emphasis is placed on the multifaceted mechanisms that contribute to their potent antioxidant, anti-inflammatory, antimicrobial, and anticancer effects, extending to both non-communicable and communicable diseases. Despite their broad therapeutic spectrum, clinical translation is limited by challenges such as poor bioavailability, host-gut microbiota variability, and a lack of robust in vivo evidence. The review highlights future directions aimed at unlocking ellagitannins’ potential, including microbiota-targeted strategies for urolithin production, the design of stable prodrugs and analogs, and innovative delivery platforms. By integrating phytochemical, mechanistic and translational insights, this article positions ellagitannins as promising candidates for the development of novel polyphenol-based interventions. Full article
(This article belongs to the Special Issue New Insights into Bioactive Compounds from Natural Sources—Second Edition)
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