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Bioactive Compounds from Roots, Stems, Leaves, Flowers, Fruits, and Seeds: 2nd Edition

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

Deadline for manuscript submissions: 31 October 2025 | Viewed by 2740

Special Issue Editors

Dr. Sang-Jip Nam

E-Mail Website
Guest Editor
Department of Chemistry and Nano Science, College of Natural Sciences, Ewha Womans University, Seoul 120-750, Republic of Korea
Interests: marine natural products; structure elucidation of natural products; antibacterial and anti-cancer natural products
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Eun Kyoung Seo

E-Mail Website
Guest Editor
College of Pharmacy, Ewha Womans University, Seoul 03760, Republic of Korea
Interests: natural products; isolation and structure determination of natural compounds; standardization of traditional medine; analysis of compounds; pharmacognosy; traditional medicine; dietary supplement; food ingredients
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

We are excited to announce the 2nd edition of our Special Issue on bioactive compounds derived from medicinal plants. Building on the success of the first edition (Bioactive Compounds from Roots, Stems, Leaves, Flowers, Fruits, and Seeds in Molecules), which garnered significant interest and high-quality submissions, this new edition will continue to focus on the isolation and characterization of active constituents from various plant parts. In the present Special Issue, the isolation of bioactive compounds from roots, stems, leaves, flowers, fruits, and seeds of any medicinal plant and traditional medicine will be predominately covered. However, other relevant topics can be included, such as the following:

  • New bioactive compounds from any plant part, including roots, stems, leaves, flowers, fruits, and seeds;
  • Bioactive compounds from plants identified via a mechanism study;
  • Analysis of bioactive compounds from plants using a QNMR or MS-MS study, including a metabolomic study;
  • Isolation techniques for bioactive compounds from plants;
  • Standardization methods for active natural medicine or plants using active compounds.

We encourage a diverse range of submissions centered on the identification of bioactive compounds, while studies focused solely on bioassays or mechanisms using plant extracts will be excluded. We look forward to receiving your contributions as we continue to advance the research field of natural products.

Dr. Sang-Jip Nam
Prof. Dr. Eun Kyoung Seo
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 100 words) can be sent to the Editorial Office for announcement on this website.

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 compounds
  • roots, stems, leaves, flowers, fruits, and seeds
  • natural products
  • natural medicine
  • medicinal plants

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Related Special Issue

Published Papers (5 papers)

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Research

11 pages, 1664 KiB  
Article
Metabolomic Profiling of Iris palaestina via Molecular Networking and Its Anti-Diabetic Potential
by Ayman Turk, Khodr Addam, Bang Yeon Hwang and Mi Kyeong Lee
Molecules 2025, 30(12), 2509; https://doi.org/10.3390/molecules30122509 - 8 Jun 2025
Viewed by 175
Abstract
The Iris genus is known for its large blooms and significant conservation value, as well as its horticultural appeal. There are over 300 species of irises, which are widely distributed across the northern temperate zone. Iris palaestina (Baker) Barbey, commonly known as the [...] Read more.
The Iris genus is known for its large blooms and significant conservation value, as well as its horticultural appeal. There are over 300 species of irises, which are widely distributed across the northern temperate zone. Iris palaestina (Baker) Barbey, commonly known as the Lebanese iris, is an endemic species of the Middle East with limited prior phytochemical research. This study was conducted to examine the metabolomic complexity and chemical profile of the flower extract of I. palaestina using advanced analytical tools. Molecular networking was employed to investigate its chemotaxonomy and phytochemical composition. In silico annotation tools—network annotation propagation (NAP), DEREPLICATOR, and MS2LDA—were applied to identify chemical classes and substructures within the extract. The flower extract of I. palaestina was found to contain diverse metabolite classes, including flavonoids, terpenoids, and lipids, with a total of 15 compounds annotated. Subsequent chromatographic separation yielded four major compounds, identified as the isoflavonoid irigenin, the flavonoid embinin, the xanthone mangiferin, and the lipid N-lauryldiethanolamine. Among these, irigenin and mangiferin exhibited significant α-glucosidase inhibitory activity, with IC50 values of 32.1 μM and 36.1 μM, respectively. This study provides the first comprehensive metabolomic characterization of I. palaestina, revealing it as a rich source of bioactive phytochemicals spanning multiple metabolite subclasses. These findings emphasize the possible use of I. palaestina for further pharmaceutical investigation and natural product discovery. Full article
(This article belongs to the Special Issue Bioactive Compounds from Roots, Stems, Leaves, Flowers, Fruits, and Seeds: 2nd Edition)
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17 pages, 1899 KiB  
Article
Extracts, Fractions, and Subfractions from Purple-Orange Sweet Potato (Ipomoea batatas L.): Xanthine Oxidase Inhibitory Potential and Antioxidant Properties
by Hendy Suhendy, Muhamad Insanu and Irda Fidrianny
Molecules 2025, 30(11), 2442; https://doi.org/10.3390/molecules30112442 - 3 Jun 2025
Viewed by 287
Abstract
Previous research has shown that fractions outperformed extracts in pharmacological activity and safety. This study assessed the total phenol and flavonoid content, as well as antioxidant and xanthine oxidase inhibitory (XOI) activities, of purple-orange sweet potato extracts, fractions, and subfractions. Using UV-visible spectrophotometry, [...] Read more.
Previous research has shown that fractions outperformed extracts in pharmacological activity and safety. This study assessed the total phenol and flavonoid content, as well as antioxidant and xanthine oxidase inhibitory (XOI) activities, of purple-orange sweet potato extracts, fractions, and subfractions. Using UV-visible spectrophotometry, the leaves showed the highest values for total phenol, flavonoid, 2,2-diphenyl-1-picrylhydrazyl (DPPH), Ferric Reducing Antioxidant Power (FRAP), Cupric Ion Reducing Antioxidant Capacity (CUPRAC) assays, and XOI activity. The sequential extraction of the leaves yielded ethyl acetate extract as the most potent, with a yield of 10.4%, a DPPH assay result of 511.212 ± 0.416 mg ascorbic acid equivalent antioxidant capacity (AEAC)/g, and XOI activity of 45.192 ± 4.981 mg allopurinol equivalent xanthine inhibitory capacity (AEXIC)/g. CF5 had the greatest DPPH assay (158.475 ± 0.170 mg AEAC/g), FRAP assay (86.849 ± 0.048 mg AEAC/g), CUPRAC assay (1008.892 ± 1.620 mg AEAC/g), and XOI activity (6.062 ± 1.730 mg AEXIC/g) values. Subfraction CSF3 from fraction CF5 was analyzed using UPLC-MS/MS and revealed the presence of compounds such as cholest-4-en-3-one, 4-hydroxy-6-[2-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl) ethyl] oxan-2-one, tangeritin, 4-methyl benzophenone, benzophenone, (+)-ar-turmerone, 4-methoxycinnamic acid, and ricinine. This study was the first to report xanthine oxidase inhibitory activity in allopurinol equivalence. The leaves of the purple-orange sweet potato showed potential as a source of natural antioxidants. Full article
(This article belongs to the Special Issue Bioactive Compounds from Roots, Stems, Leaves, Flowers, Fruits, and Seeds: 2nd Edition)
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14 pages, 2682 KiB  
Article
A Natural Inhibitor, 1′S-1′-Acetoxychavicol Acetate, Against Testosterone-Induced Alopecia via NADPH Oxidase Regulation
by Kkotnara Park, Isoo Youn, Jung Min Suh, Min Hye Choi, Da-Woon Bae, Soo-Bong Park, Mi Hee Kwack, Sun-Shin Cha, Dae Sik Jang, Young Kwan Sung, Yun Soo Bae and Eun Kyoung Seo
Molecules 2025, 30(10), 2246; https://doi.org/10.3390/molecules30102246 - 21 May 2025
Viewed by 283
Abstract
Androgenetic alopecia is associated with testosterone-mediated anagen-to-catagen transition and matrix keratinocyte apoptosis in hair follicle cells. Activation of Nox isozymes is involved in testosterone-mediated keratinocyte apoptosis, leading to androgenetic alopecia. This indicates that Nox isozymes can serve as therapeutic targets for androgenetic alopecia. [...] Read more.
Androgenetic alopecia is associated with testosterone-mediated anagen-to-catagen transition and matrix keratinocyte apoptosis in hair follicle cells. Activation of Nox isozymes is involved in testosterone-mediated keratinocyte apoptosis, leading to androgenetic alopecia. This indicates that Nox isozymes can serve as therapeutic targets for androgenetic alopecia. The isolated compounds from natural products were screened to evaluate their ROS-inhibition efficacy and it was found that 1′S-1′-acetoxychavicol acetate (ACA, 26), a natural compound isolated from Alpinia galanga (L.) Willd. (Zingiberaceae), exhibits inhibitory activity on Nox isozymes. Nox inhibition by ACA suppressed testosterone-dependent H2O2 generation and cell death in keratinocytes. Incubation with ACA in human hair follicle organ culture mitigated testosterone-dependent suppression of hair growth. We validated that ACA regulates androgenetic alopecia in a mouse model. Local application of ACA on the dorsal skin in an androgenetic alopecia model of C57BL/6 mice significantly suppressed testosterone-induced hair loss in a dose-dependent manner. Moreover, hair follicle length in ACA-treated mice was enhanced compared to that in control mice. These findings provide a molecular mechanism in which ACA inhibits Nox activity in hair follicle cells, indicating its potential as an effective treatment of AGA. Full article
(This article belongs to the Special Issue Bioactive Compounds from Roots, Stems, Leaves, Flowers, Fruits, and Seeds: 2nd Edition)
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22 pages, 2210 KiB  
Article
Berberine and Palmatine Distribution Across Plant Organs in Berberis darwinii: Basis for Selecting Superior-Producing Accessions
by Manuel Chacón-Fuentes, César Burgos-Díaz, Mauricio Opazo-Navarrete, Alan Mercado and Fernando Westermeyer
Molecules 2025, 30(8), 1849; https://doi.org/10.3390/molecules30081849 - 20 Apr 2025
Viewed by 397
Abstract
Berberis darwinii, known for its bioactive alkaloids like berberine and palmatine, has gained attention for its medicinal properties. However, comprehensive studies on the specific bioactive molecules of Michay are lacking, as previous research has primarily focused on wild plants. Therefore, this study [...] Read more.
Berberis darwinii, known for its bioactive alkaloids like berberine and palmatine, has gained attention for its medicinal properties. However, comprehensive studies on the specific bioactive molecules of Michay are lacking, as previous research has primarily focused on wild plants. Therefore, this study proposes to evaluate the alkaloid content in various tissues of B. darwinii collected from different locations, aiming to identify high-yielding accessions suitable for consistent bioactive alkaloid production. This research focuses on plants from a cultivated Michay orchard established five years ago. Leaves, stems, roots, and fruits from 96 accessions of Michay were collected to obtain an alkaloidal extract used for the characterization and comprehensive analysis of bioactive alkaloids through high-performance liquid chromatography. Based on these results, a search for the main outliers was conducted to identify the accessions with the highest alkaloid production. The results showed that roots had the highest concentrations of both berberine and palmatine, followed by stems, while leaves and seeds had lower levels, and the pulp from fruits had no detectable alkaloids. Notably, alkaloid concentrations reached up to 30,806 µg/g in roots, with accession C2P18 standing out for its combined total of 20,827.74 µg/g of berberine and 9978.27 µg/g of palmatine. Accession C3P26 showed the highest berberine concentration at 26,482.20 µg/g. These values underscore the wide variation in alkaloid accumulation and highlight the potential for selecting elite accessions with exceptionally high yields. These findings highlight the importance of plant selection for optimal alkaloid extraction. Choosing high-yielding accessions and standardizing cultivation practices will ensure a stable supply of berberine and palmatine for pharmaceutical, nutraceutical, and food industry applications. Full article
(This article belongs to the Special Issue Bioactive Compounds from Roots, Stems, Leaves, Flowers, Fruits, and Seeds: 2nd Edition)
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17 pages, 4435 KiB  
Article
Bioassay-Guided Isolation and Identification of Antibacterial Compounds from Invasive Tree of Heaven Stem and Trunk Bark
by Anna Cselőtey, Márton Baglyas, Nóra Király, Péter G. Ott, Vesna Glavnik, Irena Vovk and Ágnes M. Móricz
Molecules 2024, 29(24), 5846; https://doi.org/10.3390/molecules29245846 - 11 Dec 2024
Viewed by 1060
Abstract
Flash column chromatographic fractionation of tree of heaven (Ailanthus altissima) stem and trunk bark extracts, guided by thin-layer chromatography (TLC)–Bacillus subtilis assay and TLC–heated electrospray high-resolution tandem mass spectrometry (HESI-HRMS/MS), lead to the isolation of six known compounds: (9Z [...] Read more.
Flash column chromatographic fractionation of tree of heaven (Ailanthus altissima) stem and trunk bark extracts, guided by thin-layer chromatography (TLC)–Bacillus subtilis assay and TLC–heated electrospray high-resolution tandem mass spectrometry (HESI-HRMS/MS), lead to the isolation of six known compounds: (9Z,11E)-13-hydroxy-9,11-octadecadienoic acid (13-HODE, A1), (10E,12Z)-9-hydroxy-10,12-octadecadienoic acid (9-HODE, A2), hexadecanedioic acid (thapsic acid, A3), 16-hydroxyhexadecanoic acid (juniperic acid, A4), 16-feruloyloxypalmitic acid (alpinagalanate, A5), and canthin-6-one (A6). Their structures were elucidated by HESI-HRMS/MS and one- and two-dimensional nuclear magnetic resonance (NMR) spectroscopy. This is the first study identifying A1–A5 in A. altissima tree. Except for A5, all isolated compounds exhibited antibacterial activity against B. subtilis in microdilution assays. A6 showed the strongest effect with a minimum inhibitory concentration (MIC) value of 8.3 µg/mL. The antibacterial activity of A3 and A4 is newly described. Full article
(This article belongs to the Special Issue Bioactive Compounds from Roots, Stems, Leaves, Flowers, Fruits, and Seeds: 2nd Edition)
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