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Natural Products with Pharmaceutical Activities, 2nd Edition

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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: 31 October 2026 | Viewed by 4377

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Dr. Sokcheon Pak

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Guest Editor

School of Dentistry and Medical Sciences, Charles Sturt University, Panorama Avenue, Bathurst, NSW 2795, Australia
Interests: evidence-based practice; bee venom; nutrition; reproduction; cancer; natural medicine
Special Issues, Collections and Topics in MDPI journals

Dr. Soo Liang Ooi

E-Mail Website
Guest Editor Assistant

School of Dentistry and Medical Sciences, Charles Sturt University, Panorama Avenue, Bathurst, NSW 2795, Australia
Interests: evidence-based complementary medicine; nutrition; naturopathy; phytotherapy; natural medicine
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Nature remains an invaluable source of inspiration and innovation in pharmaceutical research. Many of today’s therapeutic agents have origins in natural compounds, with over two thirds of anticancer drugs derived directly or indirectly from natural sources. Plants, marine organisms, fungi, and microorganisms continue to yield structurally diverse compounds with significant biological activity, playing a central role in the discovery and development of new drugs.

As global health challenges such as multi-drug resistance and emerging diseases persist, the exploration of bioactive natural products offers renewed hope in the search for novel and effective therapies. These compounds display a broad spectrum of pharmacological properties, including anti-inflammatory, anticancer, antimicrobial, neuroprotective, cardiovascular, and immunomodulatory effects. Yet, challenges remain in the efficient identification, isolation, and characterization of active constituents, as well as in elucidating their mechanisms of action.

Following the success of the first edition, this second edition of the Special Issue titled “Natural Products with Pharmaceutical Activities” will continue to showcase high-quality research in this dynamic field. We invite original research articles, reviews, and short communications focusing on the discovery, isolation, structural elucidation, and pharmacological evaluation of natural bioactive compounds. Submissions highlighting novel extraction techniques, structure–activity relationships, biological mechanisms, and translational potential are especially welcome.

We encourage contributions from interdisciplinary areas such as pharmacology, natural product chemistry, medicinal chemistry, biotechnology, and related disciplines that advance the development of natural product-based therapeutics.

We look forward to receiving your valuable contributions to this ongoing exploration of nature’s pharmaceutical potential.

Dr. Sokcheon Pak
Guest Editor

Dr. Soo Liang Ooi
Guest Editor Assistant

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 compounds
drug discovery
natural product chemistry
pharmacological evaluation
structure–activity relationship

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Natural Products with Pharmaceutical Activities in Molecules (14 articles)

Published Papers (4 papers)

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Research

24 pages, 3022 KB

Open AccessArticle

New Insights into Cranberry Bioactivity: Polyphenol Composition, Adhesive Effects Against Food Spoilage Yeasts, and Influence on Intestinal Cells

by Dorota Kręgiel, Joanna Oracz, Karolina Czarnecka-Chrebelska and Adriana Nowak

Molecules 2026, 31(3), 418; https://doi.org/10.3390/molecules31030418 - 26 Jan 2026

Viewed by 633

Abstract

The purpose of this study was to characterise the effect of cranberry (Vaccinium macrocarpon) juice on unicellular and multicellular systems, specifically food spoilage yeasts (Wickerhamomyces anomalus, Dekkera bruxellensis and Rhodotorula mucilaginosa) and intestinal cells (IEC-6 and Caco-2 cells). The effects of both raw cranberry juice and juice digested in vitro were investigated. The juices were analysed for polyphenol content using high-performance liquid chromatography coupled with mass spectrometry. The cranberry juice was evaluated for its impact on yeast surface hydrophobicity and anti-adhesive action using the MATH test and luminometry/microscopy, respectively. We also assessed the effects of raw and digested cranberry juices on IEC-6 and Caco-2 cells by measuring cell viability, metabolic modulation, genotoxicity, and antioxidant activity. Chromatographic analysis of the raw cranberry juice revealed the presence of diverse bioactive compounds, identified as hydroxybenzoic and hydroxycinnamic acids, flavonols, and anthocyanins. After digestion, the cranberry juice remained a rich source of phenolic acids. The yeast strain R. mucilaginosa was characterised by the highest hydrophobicity and adhesive abilities, but cell adhesion in the presence of raw cranberry juice was several times lower for all the tested strains. Both tested cranberry juices reduced ROS levels and were well tolerated by intestinal epithelial cells, without significant cytotoxic or genotoxic effects. Our findings provide new insights into the safety of using cranberry juice across unicellular and multicellular systems. However, further validation in real-world settings is necessary before practical applications. Full article

(This article belongs to the Special Issue Natural Products with Pharmaceutical Activities, 2nd Edition)

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24 pages, 2822 KB

Open AccessArticle

Discovering the Anti-Inflammatory Potential of Compounds Isolated from the Aerial Parts of Gelasia tomentosa (L.) Zaika, Sukhor. & N.Kilian (Syn. Scorzonera tomentosa), Through In Vitro Techniques and Advanced In Silico Modeling Approaches

by Özlem Bahadır-Acıkara, Beyzanur Akcan, Sezen Yılmaz-Sarıaltın and Christian Zidorn

Molecules 2026, 31(1), 19; https://doi.org/10.3390/molecules31010019 - 20 Dec 2025

Viewed by 859

Abstract

Gelasia tomentosa (L.) Zaika, Sukhor. & N.Kilian which is known formerly as Scorzonera tomentosa L., a wild edible plant species in Turkey, is traditionally used against rheumatism and for wound healing. In this study, we explore its anti-inflammatory compounds, evaluating effectiveness through human red blood cell stabilization and in silico models, alongside physico-chemical and pharmacokinetic profiles. In vitro activity-guided fractionation allowed the isolation of sixteen compounds from the aerial parts of G. tomentosa, which were identified as hyperoside (1), isoquercetin (2), quercetin 3-O-β-apiofuranosyl-(1→2)-β-galactopyranoside (3), quercetin 3-O-β-apiofuranosyl-(1→2)-β-glucopyranoside (4), 7-methoxyapigenin-6-C-β-apiofuranosyl-(1→2)-β-glucopyranoside (5), apigenin-6-C-β-apiofuranosyl-(1→2)-β-glucopyranoside (6), dihydrodehydrodiconiferyl-alcohol-4-O-β-glucopyranoside (7), cichoriin (8), 7-O-methylisoorientin (9), isoorientin (10), swertisin (11), 3,5-O-dicaffeoylquinic acid methyl ester (12), 4,5-O-dicaffeoylquinic acid methyl ester (13), staphylinioside E (14), 3,5-O-dicaffeoylquinic acid (15), and 4,5-O-dicaffeoylquinic acid (16). Compound 16 displayed the highest potential anti-inflammatory activity (IC₅₀ = 0.55 ± 0.00 mg/mL). However, the fraction with compounds displayed stronger biological activity than the isolated ones. In silico findings supported the anti-inflammatory potential, enhancing TP53 expression and cell membrane protection. Cichoriin (8) and staphylinioside E (14) are in accordance with Lipinski’s, Pfizer’s, GSK’s, and Golden Triangle rules, indicating a favorable ADME profile as a drug candidate. Further studies are needed to test this potential in specific inflammation models. Full article

(This article belongs to the Special Issue Natural Products with Pharmaceutical Activities, 2nd Edition)

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32 pages, 1896 KB

Open AccessArticle

Effects of Aronia melanocarpa Tannins on Oxidative Stress and Immune Dysfunction

by Kseniya Bushmeleva, Alexandra Vyshtakalyuk, Dmitriy Terenzhev, Timur Belov, Kamila Kazimova and Vladimir Zobov

Molecules 2025, 30(22), 4338; https://doi.org/10.3390/molecules30224338 - 8 Nov 2025

Cited by 1 | Viewed by 1314

Abstract

Natural polyphenols, particularly tannins, are of interest due to their complex composition and multi-target biological activities. A highly purified tannin fraction was isolated from Aronia melanocarpa fruits, and its composition was characterized by HPLC-MS and IR spectroscopy. The Aronia tannin fraction exhibited comprehensive antioxidant properties, demonstrating superior DPPH radical scavenging activity compared to quercetin and a membrane-protective effect exceeding reference antioxidants. In vivo, Aronia tannins showed a delayed but potent antioxidant effect against cyclophosphamide (CP)-induced oxidative stress, significantly reducing malondialdehyde (MDA) levels, with the maximum effect observed at days 14–21. The immunomodulatory effect involved a complex regulation of the phagocytic system: selective activation of the monocytic arm with simultaneous modulation of neutrophilic activity. Crucially, a high phagocytic completion rate was maintained, indicating support for both bacterial uptake and intracellular killing. Tannins accelerated recovery post-CP, restoring leukocyte and platelet counts. Modulation of neutrophil oxidative metabolism, measured by chemiluminescence, indicates an ability to balance defense activation with prevention of excessive oxidative stress. These findings confirm the potential of the Aronia melanocarpa tannin fraction for correcting oxidative stress and immune dysfunction. Full article

(This article belongs to the Special Issue Natural Products with Pharmaceutical Activities, 2nd Edition)

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27 pages, 14168 KB

Open AccessArticle

Cardamonin Inhibits the Nuclear Translocation and DNA Binding of RelA in the Tumor Necrosis Factor-α-Induced NF-κB Signaling Pathway in Human Lung Adenocarcinoma A549 Cells

by Nhat Thi Vu, Quy Van Vu, Nghia Trong Vo, Riho Tanigaki, Hue Tu Quach, Yasunobu Miyake, Tomoo Shiba and Takao Kataoka

Molecules 2025, 30(22), 4324; https://doi.org/10.3390/molecules30224324 - 7 Nov 2025

Cited by 1 | Viewed by 1043

Abstract

Tumor necrosis factor α (TNF-α) activates the nuclear factor κB (NF-κB) signaling pathway, which promotes the expression of NF-κB-responsive genes, including intercellular adhesion molecule 1 (ICAM-1). We previously reported that cardamonin, a chalcone-type flavonoid, inhibited TNF-α-induced ICAM-1 expression in human lung adenocarcinoma A549 cells. However, the mechanisms by which cardamonin inhibits the TNF-α-induced NF-κB signaling pathway have yet to be elucidated. Therefore, we herein investigated the effects of cardamonin on TNF-α-induced gene expression and the NF-κB-dependent signaling pathway. Cardamonin reduced TNF-α-induced ICAM-1 mRNA expression and NF-κB reporter activity. It did not affect the inhibitor of NF-κB α (IκBα) degradation, but prevented RelA nuclear translocation and binding to the ICAM-1 promoter. Consistent with this result, three other chalcone derivatives (4′-hydroxychalcone, isoliquiritigenin, and xanthohumol) did not affect the degradation of IκBα, but inhibited nuclear RelA translocation. Cardamonin exhibited the same inhibitory profiles in human breast cancer MCF-7 cells and human fibrosarcoma HT-1080 cells. Cysteine 38 (C38) of RelA was not a primary target site of cardamonin because cardamonin inhibited the nuclear translocation of the RelA C38S mutant. An in silico molecular docking analysis confirmed that cardamonin was not positioned close enough to RelA C38 to mediate covalent binding, and also that cardamonin interacted with RelA at different sites. Mutations in these interaction sites abrogated the nuclear translocation of RelA in response to a TNF-α stimulation. The present results demonstrate that cardamonin inhibited the nuclear translocation of RelA and its DNA binding in the NF-κB signaling pathway in response to a TNF-α stimulation. Full article

(This article belongs to the Special Issue Natural Products with Pharmaceutical Activities, 2nd Edition)

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