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Bioactive Natural Compounds in the Prevention and Treatment of Human and Veterinary Diseases

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A Special Issue of International Journal of Molecular Sciences (ISSN 1422-0067) belonging to the section "Bioactives and Nutraceuticals".

Deadline for manuscript submissions: closed (20 July 2026) | Viewed by 5695

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Editors

Dr. Fabiana Superti

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Guest Editor

Association for Research on Integrative Oncology Therapies (ARTOI), Via Ludovico Micara, 73, 00165 Rome, Italy
Interests: bioactive natural compounds; natural products; probiotics; prebiotics; drug resistance; inflammation; microbiology; virus-host cell interaction; virulence factors; viral receptors; viral entry; antiviral drugs; lactoferrin; lipophilic amines; antiviral peptides; natural and synthetic antiviral compounds
Special Issues, Collections and Topics in MDPI journals

Dr. Anna Scotto D'Abusco

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Guest Editor

Department of Biochemical Sciences “Alessandro Rossi Fanelli”, “Sapienza” University of Rome, Piazzale Aldo Moro, 5, 00185 Rome, Italy
Interests: bioactive natural compounds; herbal products; inflammatory processes; intracellular pathways; extracellular matrix components; N-acetyl-glucosamine; acetyl-carnitine; nanomaterials
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Bioactive natural compounds, endowed with properties such as antioxidant, anti-inflammatory, immunomodulatory, and antimicrobial activities, represent a promising preventive and therapeutic strategy against several pathological processes. They are widely used to treat or prevent a broad spectrum of conditions in both humans and animals. Furthermore, due to the side effects associated with conventional drugs and the growing problem of drug resistance, there is increasing interest in research on natural products and their possible synergistic effects. Since these compounds constitute a rich source of new therapeutics, research in this field continues to play an important role in identifying novel agents and uncovering new applications for known compounds.

This Special Issue aims to collect articles highlighting the importance of products of natural origin and to serve as a communication platform for researchers working in the field of bioactive natural compounds. Potential topics include, but are not limited to, the following: natural compounds; drug resistance; health promotion; disease prevention; disease treatment; synergistic effect; and mechanisms of action.

We welcome original research articles—whether in vitro, preclinical, or clinical—and review papers on the biological activities of natural products in both communicable and non-communicable diseases.

We look forward to receiving your contributions.

Dr. Fabiana Superti
Dr. Anna Scotto D'Abusco
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-anonymized peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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 natural substances
nutraceuticals
drug discovery
drug resistance
inflammation
antioxidant
health promotion
prevention
treatment
synergistic effect
molecular mechanism
computational analysis
repurposed molecules

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Published Papers (7 papers)

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Research

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20 pages, 3979 KB

Open AccessArticle

Acetyl L-Carnitine Nanoparticles Modulate Neuronal and Inflammatory Responses in In Vitro Cell Model

by Alessia Mariano, Benedetta Brugnoli, Iolanda Francolini, Sergio Ammendola and Anna Scotto d’Abusco

Int. J. Mol. Sci. 2026, 27(15), 7024; https://doi.org/10.3390/ijms27157024 - 5 Aug 2026

Viewed by 1143

Abstract

Acetyl L-carnitine is an ester of the trimethylated amino acid L-carnitine with well-documented neuroprotective properties. Despite its ability to cross the blood–brain barrier, acetyl L-carnitine requires high and repeated doses to achieve and maintain therapeutic concentrations in the central nervous system. To overcome these limitations, nanotechnology-based delivery systems have emerged as a promising strategy to improve drug bioavailability, targeting, and therapeutic efficacy. In this study, we evaluated the efficacy of nanoparticle-based formulations of acetyl L-carnitine in comparison with its conventional bulk form using in vitro cultures of SH-SY5Y neuroblastoma cell line. The ALC nanoparticles were produced through an organic solvent-free mechanical ball milling process employing a planetary ball mill. The dimension and stability of the nanoparticles were analyzed by Dynamic Light Scattering and Thermogravimetric Analysis. The biological effects were evaluated using quantitative Real Time-Polymerase Chain Reaction, Enzyme-linked Immunosorbent Assay and immunofluorescence experiments. ALC nanoparticles, at low concentration of nanoparticles compared to the non-nanoparticle form, were able to decrease the alarmin S100B release, pro-inflammatory interleukin mRNA and protein expression as well as p65 activation, confirming their involvement in NF-κB pathway. Moreover, it was able to stimulate the nerve growth factor release and to increase intracellular Ca⁺⁺ levels, showing neuroprotective effects in addition to anti-inflammatory ones. Our findings allow us to highlight the therapeutic potential of ALC nanoparticles for neurological disorders, with the prospect of enhancing efficacy while reducing dosage and administration frequency. Full article

(This article belongs to the Special Issue Bioactive Natural Compounds in the Prevention and Treatment of Human and Veterinary Diseases)

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19 pages, 4989 KB

Open AccessArticle

Synthetic Curcuminoids Combined with Blue-Light-Mediated Photodynamic Therapy for Anti-Inflammatory Effect and Potential Mechanism on Imiquimod-Induced Psoriasis-like Proliferation of Keratinocytes

by Lee-Fong Lin, Yu-Chang Chu, Wei-Chun Chen, Jing-Jia Hsu, Ming-Lun Chou, Anren Hu and Sung-Jen Hung

Int. J. Mol. Sci. 2026, 27(15), 6716; https://doi.org/10.3390/ijms27156716 - 27 Jul 2026

Viewed by 418

Abstract

Psoriasis is characterized by the rapid proliferation of keratinocytes, leading to erythematous plaques with silvery scales, skin pain, and impaired quality of life. Photodynamic therapy (PDT) has emerged as a promising treatment modality for various skin disorders, including psoriasis. Curcumin, a natural photosensitizer, possesses potent anti-inflammatory and antioxidant properties. In this study, we investigated the anti-inflammatory potential of synthetic curcuminoids combined with blue-light-mediated PDT for psoriasis treatment using human keratinocyte (HaCaT) cells. MTT assays demonstrated that the synthetic curcuminoids (1E,6E)-1,7-bis(5-methylthiophen-2-yl)hepta-1,6-diene-3,5-dione (No. 11) and (1E,6E)-1,7-di(thiophen-2-yl)hepta-1,6-diene-3,5-dione (No. 12) exhibited minimal cytotoxicity toward HaCaT cells. Upon ultraviolet–visible light irradiation, curcuminoid-treated cells generated intracellular reactive oxygen species, confirming the photodynamic activity induced by blue light exposure. Treatment with synthetic curcuminoids significantly suppressed the secretion of pro-inflammatory cytokines IL-17A/F and IL-8 in imiquimod-stimulated HaCaT cells, a commonly used psoriasis-like inflammatory model, indicating notable anti-inflammatory effects. Western blot analysis further revealed an increased Bax/Bcl-2 ratio in cells treated with synthetic curcuminoids No. 11 or No. 12 under photodynamic irradiation, suggesting the induction of apoptosis. Synthetic curcuminoids combined with blue-light PDT may represent a promising and cost-effective strategy for psoriasis. Full article

(This article belongs to the Special Issue Bioactive Natural Compounds in the Prevention and Treatment of Human and Veterinary Diseases)

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16 pages, 15677 KB

Open AccessArticle

Gingerol-Rich Extract Derived from Zingiber officinale Roscoe Alleviates Motion Sickness via Inhibiting the Ileal IL-33/ST2/PLC-γ1/TRPA1 Pathway

by Longhui Yan, Ziming Xia, Yiming Luo, Junyu Bu, Kai Liang, Chang Liu, Xin Sun, Zhiyan Zhang, Min Li, Shuchen Liu and Ying Tian

Int. J. Mol. Sci. 2026, 27(14), 6124; https://doi.org/10.3390/ijms27146124 - 8 Jul 2026

Viewed by 648

Abstract

Gingerol-rich extract derived from Zingiber officinale Roscoe (ZOGE) is clinically effective against motion sickness (MS), yet its mechanism remains unknown. Here, we demonstrate that ZOGE confers protection by modulating a specific gut–brain immune–neuroendocrine pathway. Using a rotation-induced rat model combined with behavioral tests, vestibular nuclei (VN) metabolomics, and molecular analyses, we found that ZOGE not only alleviated MS symptoms and normalized VN metabolic disturbances, particularly in phenylalanine, tyrosine, and tryptophan biosynthesis, but also potently suppressed the peripheral IL-33/ST2/PLC-γ1/TRPA1 signaling axis in the ileum, leading to reduced synthesis and release of 5-HT, a key MS mediator. Our study provides the evidence that ZOGE acts through coordinated central metabolic modulation and peripheral inhibition of a defined pro-emetic pathway, establishing a novel gut–brain immune–neuroendocrine mechanism for its therapeutic efficacy against MS. Full article

(This article belongs to the Special Issue Bioactive Natural Compounds in the Prevention and Treatment of Human and Veterinary Diseases)

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16 pages, 7654 KB

Open AccessArticle

Apple Seed Extract Post-Treatment Alters Selected IGF-Related and Extracellular Matrix-Associated Markers Following Tobacco Leaf Extract-Induced Histological Liver Injury

by Min Jee Oh, Yong-Su Park, Ji-Yeon Mo, Eun Kyung Kang, Cheol Won Kang and Sang Hwan Kim

Int. J. Mol. Sci. 2026, 27(13), 5851; https://doi.org/10.3390/ijms27135851 - 29 Jun 2026

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Abstract

Tobacco leaf extract (TLE) exposure can induce liver injury-associated responses involving cell death, inflammatory signaling, and extracellular matrix (ECM)-related changes. This study examined whether apple seed extract (ASE) post-treatment changes apoptosis-, inflammation-, ECM-, and insulin-like growth factor (IGF)-related markers after TLE exposure. Primary mouse hepatocytes were exposed to TLE, ASE alone, or TLE followed by ASE, and mouse liver tissues were examined after TLE exposure with or without ASE post-treatment. TLE reduced hepatocyte viability in a concentration-dependent manner, with an IC₅₀ of 4.4 mg/mL. Annexin V/propidium iodide analysis showed that early apoptosis increased from 2.20% in untreated cells to 5.50% after 2 mg/mL TLE and 85.65% after 4 mg/mL TLE. ASE alone at 40 µg/mL increased the early apoptotic fraction to 53.65%, indicating that this concentration was not biologically neutral under basal culture conditions. After TLE exposure followed by ASE post-treatment, the live-cell fraction remained high in T2HA and T4HA, whereas T5HA retained a high early apoptotic fraction. In mice, TLE exposure was accompanied by visible liver appearance changes and histological alterations. ASE post-treatment changed Alcian blue staining, gelatinase activity, TIMP-associated signals, and IGF-related signals. These findings indicate treatment-dependent changes in selected injury-associated markers rather than a consistently protective effect of ASE. The study does not assign these effects to a specific ASE constituent because compound-level chemical standardization was not performed. Full article

(This article belongs to the Special Issue Bioactive Natural Compounds in the Prevention and Treatment of Human and Veterinary Diseases)

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13 pages, 2183 KB

Open AccessArticle

A Multidisciplinary Analytical Strategy for the Authentication and Quality Assessment of Bromelain in Dietary Supplements

by Federico Benetti, Elena Petrini, Riccardo Sordi, Elisa Gaio and Marco Biagi

Int. J. Mol. Sci. 2026, 27(9), 3830; https://doi.org/10.3390/ijms27093830 - 25 Apr 2026

Viewed by 1175

Abstract

Bromelain is a complex of proteolytic enzymes obtained from Ananas comosus, widely used in dietary supplements for its anti-inflammatory, immunomodulatory, anti-edema, and wound-healing properties. Despite its broad commercial use, the quality control of bromelain-based products is often limited to enzymatic activity assays, which may not be sufficient for confirming authenticity. This study aimed to evaluate the quality of bromelain-containing products. Four commercially available bromelain samples were analyzed using a multidisciplinary analytical strategy. The study results demonstrated that only one of the assessed raw materials met the declared values in terms of bromelain activity and quality. Of the other three samples, two showed no enzymatic activity, while the other revealed activity complying with the declared specification that was due to papain, rather than bromelain. The present study demonstrates that enzymatic activity alone is insufficient to validate the quality of bromelain and related finished formulations. An integrated analytical approach is essential to detect adulteration, confirming authenticity and ensuring the safety and efficacy of bromelain supplements. Such methodologies should become a regulatory priority in the nutraceutical industry to protect consumer health and ensure product integrity. Full article

(This article belongs to the Special Issue Bioactive Natural Compounds in the Prevention and Treatment of Human and Veterinary Diseases)

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23 pages, 55337 KB

Open AccessArticle

UPLC-Q-TOF-MS/MS and Network Pharmacology Approaches to Explore the Active Compounds and Mechanisms of Kadsura coccinea for Treating Rheumatoid Arthritis

by Liya Qiao, Jiashui Liao, Yongchun Huang, Ping Li, Hairong Long, Lu Chen, Tingting Tong, Xiaowen Ji, Mengli Zhang, Yude Peng, Yu Pan and Xianghua Xia

Int. J. Mol. Sci. 2026, 27(5), 2097; https://doi.org/10.3390/ijms27052097 - 24 Feb 2026

Viewed by 968

Abstract

This study aimed to systematically identify the active constituents of Kadsura coccinea (Lem.) A. C. Smith (KC) and elucidate their potential mechanisms in treating rheumatoid arthritis (RA) using an integrated analytical and computational approach. Chemical profiling of KC root extract was performed by UPLC-Q-TOF-MS/MS. Active compounds and their targets were predicted using the SwissTargetPrediction database, while RA-related genes were retrieved from OMIM, GeneCards, and DisGeNET. A compound–target network was constructed and analyzed via Cytoscape. Functional enrichment analyses and protein–protein interaction (PPI) clustering were conducted to identify key pathways. Molecular docking was employed to validate interactions between core compounds and key RA targets. A total of 90 compounds were identified, primarily 36 lignans and 29 triterpenoids. Network analysis revealed 145 overlapping targets between KC and RA. These targets were further associated with 65 compounds derived from KC. Key compounds such as kadcoccinone F, kadsuralignan I and schisantherin M were linked to hub targets including MAPK14, MMPs, and JAKs, which are involved in inflammatory signaling, matrix degradation, and immune regulation. Molecular docking confirmed strong binding affinities (ΔG < −5.0 kcal/mol) between representative KC compounds and targets like MMP1, MMP2, JAK2 and JAK3, supported by analyses of hydrogen bonding, hydrophobic, and π-interactions. These results suggest that KC exerts anti-RA effects through multi-component, multi-target mechanisms, primarily modulating inflammatory signaling, immune cell recruitment, and tissue-destructive pathways. This study provides a pharmacological basis for the traditional use of KC in RA management and supports its potential as a complementary therapeutic agent. Full article

(This article belongs to the Special Issue Bioactive Natural Compounds in the Prevention and Treatment of Human and Veterinary Diseases)

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Review

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27 pages, 7163 KB

Open AccessReview

Plant In Vitro Production of Phenolic Bioactives: Molecular Regulation, Functional Equivalence and Translational Challenges

by Anna Kujawska, Paulina Król, Oleksandra Laban and Piotr Karczyński

Int. J. Mol. Sci. 2026, 27(15), 6996; https://doi.org/10.3390/ijms27156996 - 4 Aug 2026

Viewed by 453

Abstract

Phenolic compounds are important plant secondary metabolites with broad biological activity and potential applications in pharmaceutical, food, cosmetic, nutraceutical, and veterinary sectors. Conventional production from field-grown plants is limited by environmental variability, seasonality, and difficulties in standardizing metabolite composition. Plant in vitro cultures provide controlled systems for modulating secondary metabolism and producing phenolic compounds under defined conditions. This review summarizes current advances in plant in vitro platforms for phenolic production and discusses regulation through elicitation, metabolic modulation, molecular approaches, and bioreactor cultivation. The distinctive focus of this review is the critical evaluation of how culture type, production stability, metabolite composition, and structural variation affect biological performance and functional equivalence. Current evidence indicates that increased metabolite accumulation alone does not ensure preserved biological properties or translational applicability. Functional equivalence is therefore considered as a framework integrating chemical profiling, batch-to-batch reproducibility, biological validation, bioavailability, and application-oriented evaluation of in vitro-derived phenolics. Future progress will depend not only on increasing yield but also on achieving stable production, predictable composition, reproducible biological performance, and translational reliability. Full article

(This article belongs to the Special Issue Bioactive Natural Compounds in the Prevention and Treatment of Human and Veterinary Diseases)

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