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Bioactive Natural Products: From Molecular Mechanisms to Biological Function
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Bioactive Natural Products: From Molecular Mechanisms to Biological Function

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Bioactives and Nutraceuticals".

Deadline for manuscript submissions: 31 July 2026 | Viewed by 1378

Special Issue Editor

Prof. Dr. Noureddine El Aouad

E-Mail Website
Guest Editor
Laboratory of Health and life Sciences, Department of Drug Sciences, Faculty of Medicine and Pharmacy of Tangier, University AbdelMalek Essaadi Tetouan, Tetouan, Morocco
Interests: understanding how natural compounds modulate cellular functions; discovery of novel natural products/new promising plants sources; biological activity and therapeutic potential; omics-based and molecular docking to identify mechanisms of action and predict bioactivity
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Diseases such as cancer, degenerative diseases, HIV/AIDS, and diabetes are among the numerous global health issues that present challenges in modern medicine as it races to provide treatments. Safety, pharmacokinetics, and efficacy are just a few of the many factors that must be considered when choosing a drug candidate in the field of drug discovery.

This Special Issue presents recent advances in the research of bioactive natural products, focusing on how their molecular mechanisms translate into biological functions. The published papers will explore natural compounds from plants, microorganisms, marine species, and fungi, using biochemical and omics-based approaches to identify targets and clarify mechanisms such as antioxidant, anti-inflammatory, antimicrobial, and anticancer actions.

New natural sources, innovative extraction techniques, structural characterization, and the molecular mechanisms of new compounds will also be highlighted in this Special Issue. Contributions will demonstrate the continued importance of natural products as a rich source of therapeutic candidates and as powerful tools for understanding and modulating key biological pathways.

Dr. Noureddine El Aouad
Guest Editor

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. 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

  • natural products
  • molecular mechanism
  • biological activities
  • drug discovery

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Published Papers (2 papers)

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Research

22 pages, 5261 KB  
Article
Paeoniflorin Modulates TREM-1/NF-κB/LXRα/ABCG1 Pathway to Improve Cholesterol Metabolism and Inflammation in Hyperlipidemic Rat
by Ying Yang, Xiang Li, Dan-Li Tang, Bing Li, Si-Jia Wu, Hong-Xin Cao, Wen-Jing Zong and Hua-Min Zhang
Int. J. Mol. Sci. 2026, 27(7), 3039; https://doi.org/10.3390/ijms27073039 - 26 Mar 2026
Viewed by 556
Abstract
This study aimed to systematically elucidate the antihyperlipidemic mechanism of paeoniflorin, and we adopted an integrated multi-omics strategy to screen the key molecular targets and regulatory pathways involved in its action, followed by experimental validation to verify the potential regulatory effects of paeoniflorin [...] Read more.
This study aimed to systematically elucidate the antihyperlipidemic mechanism of paeoniflorin, and we adopted an integrated multi-omics strategy to screen the key molecular targets and regulatory pathways involved in its action, followed by experimental validation to verify the potential regulatory effects of paeoniflorin on the screened targets and metabolic processes. Rats with high-fat diet-induced hyperlipidemia received paeoniflorin treatment. Liver histopathology was evaluated using hematoxylin–eosin and Oil Red O staining. Serum levels of total cholesterol, triglycerides, low-density lipoprotein cholesterol, high-density lipoprotein cholesterol, alanine aminotransferase, aspartate aminotransferase, alkaline phosphatase, total bile acids, activated partial thromboplastin time, prothrombin time, thrombin time, and fibrinogen were measured using a biochemical analyzer. Integrated multi-omics analyses were performed to investigate paeoniflorin’s lipid-lowering mechanism. Critical pathways and targets identified were validated using Western blotting. Paeoniflorin alleviated pathological liver damage in hyperlipidemic rats and improved blood lipid levels, coagulation function, and liver function markers. Multi-omics analyses verified that paeoniflorin downregulated the expression of TREM-1, TLR4, NF-κB, TNF-α, and IL-1β, thereby alleviating hepatic inflammation. Paeoniflorin also upregulated the expression of low-density lipoprotein receptors (LDLR), liver X receptor alpha (LXRα), and ATP-binding cassette subfamily G member 1 (ABCG1), while downregulating proprotein convertase subtilisin/kexin type 9 (PCSK9) expression, contributing to balanced cholesterol metabolism. Paeoniflorin normalized glycerophospholipid and branched-chain amino acid metabolism, which correlated with reduced inflammation and improved cholesterol metabolism. Paeoniflorin ameliorates hyperlipidemia through multitarget mechanisms, potentially by suppressing the TREM-1-TLR4-NF-κB signaling pathway to reduce inflammation and by regulating cholesterol metabolism via the PCSK9-LDLR and LXRα-ABCG1 pathways. Full article
(This article belongs to the Special Issue Bioactive Natural Products: From Molecular Mechanisms to Biological Function)
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19 pages, 3226 KB  
Article
Traditional Medicinal Plant Dahlia pinnata Selectively Suppresses TNF-α Expression Through Modulation of NF-κB and p38 Signaling
by HyeRin Woo, Yeji Lee, Jongmin Ahn, Yongxin Jin, Weihui Wu and Un-Hwan Ha
Int. J. Mol. Sci. 2026, 27(2), 1122; https://doi.org/10.3390/ijms27021122 - 22 Jan 2026
Viewed by 454
Abstract
Tumor necrosis factor-α (TNF-α) is a central mediator of inflammatory pathology; thus, the selective suppression of TNF-α without causing broad immunosuppression remains a critical therapeutic goal. This study investigated the anti-inflammatory potential and underlying mechanisms of Dahlia pinnata (D. pinnata) extract [...] Read more.
Tumor necrosis factor-α (TNF-α) is a central mediator of inflammatory pathology; thus, the selective suppression of TNF-α without causing broad immunosuppression remains a critical therapeutic goal. This study investigated the anti-inflammatory potential and underlying mechanisms of Dahlia pinnata (D. pinnata) extract in human monocytes and epithelial cells. We demonstrate that D. pinnata extract selectively suppresses basal TNF-α expression in THP-1 monocytes and BEAS-2B bronchial epithelial cells, with minimal impact on IL-1β, IL-6, or IL-10 and without inducing cytotoxicity. The extract also potently attenuated TNF-α induction triggered by Pseudomonas aeruginosa infection or lipopolysaccharide (LPS) stimulation. Notably, D. pinnata extract exhibited stronger and broader TNF-α-suppressive effects than dexamethasone, particularly in monocytes where dexamethasone was ineffective under the tested conditions. Mechanistic analyses revealed that the extract suppresses TNF-α expression primarily through the inhibition of NF-κB signaling, accompanied by enhanced p38 MAPK activation. Fractionation of the extract identified two active fractions (06 and 07) that robustly suppressed TNF-α expression under both basal and stimulated conditions while maintaining low cytotoxicity. These fractions recapitulated the signaling profile of the crude extract by inhibiting NF-κB activation and promoting p38 signaling. Collectively, our findings identify D. pinnata as a rich source of bioactive compounds that selectively suppresses TNF-α through the coordinated modulation of NF-κB and p38 pathways, highlighting its potential as a scaffold for developing targeted anti-inflammatory therapeutics. Full article
(This article belongs to the Special Issue Bioactive Natural Products: From Molecular Mechanisms to Biological Function)
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