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Therapeutic Effects of Natural Bioactive Compounds in the Management of Human Diseases: 2nd Edition

A special issue of Current Issues in Molecular Biology (ISSN 1467-3045). This special issue belongs to the section "Biochemistry, Molecular and Cellular Biology".

Deadline for manuscript submissions: 31 October 2026 | Viewed by 7185

Special Issue Editors

Prof. Dr. Rossana Morabito

E-Mail Website
Guest Editor
Department of Chemical, Biological, Pharmaceutical and Environmental Sciences, University of Messina, 98166 Messina, Italy
Interests: human physiology; cell physiology; membrane transport systems; bioactive compound; oxidative stress; human health
Special Issues, Collections and Topics in MDPI journals
Dr. Sara Spinelli

E-Mail Website
Guest Editor
Department of Chemical Biological, Pharmaceutical and Environmental Sciences, University of Messina, 98166 Messina, Italy
Interests: human physiology; cell physiology; membrane transport systems; bioactive compound; oxidative stress; human health
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The Special Issue, entitled “Therapeutic Effects of Natural Bioactive Compounds in the Management of Human Diseases: 2nd Edition”, welcomes high-quality research articles and review articles focusing on targets and molecular mechanisms underlying several common pathological conditions related to increased oxidative stress and inflammatory processes and their possible modulation through natural bioactive compounds. Recently, these molecules have attracted considerable attention due to their potential employment as low-toxicity therapies that can prevent or reduce chronic disease-induced damage or restore damaged cells.

The extraordinary activity of functional bioactives is displayed via their antioxidant, anti-inflammatory, and anti-glycant properties, which collectively provide a potential new strategy in the management of several pathological conditions (e.g., diabetes, obesity, and rheumatic and neurodegenerative diseases, among others). Understanding the molecular and functional mechanisms and/or pathways through which these substances may support human health remains an open question worth exploring. From this perspective, studies using animal, as well as cell-based models, are welcome.

Prof. Dr. Rossana Morabito
Dr. Sara Spinelli
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. Current Issues in Molecular Biology is an international peer-reviewed open access monthly 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 2200 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

  • natural bioactive compound
  • human health
  • chronic diseases
  • molecular target
  • oxidative stress
  • inflammation
  • cancer
  • diabetes

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Published Papers (6 papers)

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Research

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26 pages, 2994 KB  
Article
Phenolic-Enriched Fractions of Rubus buergeri Attenuate LPS-Induced Nitric Oxide Production and Inflammatory Gene Expression in Macrophages
by Theophilus Bhatti, Hong-Yi Xiang, Jihyun Lee, Ji-Yeong Bae and Jinu Kim
Curr. Issues Mol. Biol. 2026, 48(5), 507; https://doi.org/10.3390/cimb48050507 - 14 May 2026
Viewed by 105
Abstract
Rubus buergeri Miq., a wild species native to Jeju Island (Republic of Korea), is a relatively understudied plant with potential as a source of bioactive phenolic compounds. This study investigated the phytochemical composition of R. buergeri extract (RBE) and evaluated its antioxidant and [...] Read more.
Rubus buergeri Miq., a wild species native to Jeju Island (Republic of Korea), is a relatively understudied plant with potential as a source of bioactive phenolic compounds. This study investigated the phytochemical composition of R. buergeri extract (RBE) and evaluated its antioxidant and anti-inflammatory activities using a bioactivity-guided fractionation approach. Antioxidant capacity was assessed by 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), and ferric reducing antioxidant power assays (FRAP), along with total phenolic content determination, while anti-inflammatory activity was evaluated by measuring nitric oxide (NO) production and inflammatory gene expression in lipopolysaccharide (LPS)-stimulated RAW 264.7 macrophages. RBE exhibited high phenolic content and strong antioxidant activity; its ethyl acetate and n-butanol fractions demonstrated the greatest antioxidant activities and significantly inhibited LPS-induced NO production. Furthermore, RBE suppressed LPS-induced mRNA expression of Nos2, Ptgs2, Tnfa, Il1b, and Il6, indicating coordinated inhibition of inflammatory responses. Ultra-high-performance liquid chromatography (UHPLC) analysis identified ellagic acid, ethyl gallate, and epicatechin as major phenolic constituents, with ellagic acid and ethyl gallate showing stronger inhibitory effects on NO production and inflammatory gene expression than epicatechin. These findings suggest that the phenolic constituents of R. buergeri modulate NO-associated inflammatory responses and support its potential as a source of anti-inflammatory phytochemicals. Full article
(This article belongs to the Special Issue Therapeutic Effects of Natural Bioactive Compounds in the Management of Human Diseases: 2nd Edition)
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19 pages, 3833 KB  
Article
Cucurbitacin B Inhibits Hepatocellular Carcinoma by Inducing Ferroptosis and Activating the cGAS-STING Pathway
by Huizhong Zhang, Aqian Chang, Xiaohan Xu, Hulinyue Peng, Ke Zhang, Jingwen Yang, Wenjing Li, Xinzhu Wang, Wenqi Wang, Xingbin Yin, Changhai Qu, Xiaoxv Dong and Jian Ni
Curr. Issues Mol. Biol. 2026, 48(2), 138; https://doi.org/10.3390/cimb48020138 - 27 Jan 2026
Viewed by 886
Abstract
The incidence of primary liver cancer is increasing annually, with extremely high mortality and suboptimal therapeutic outcomes. The inefficient presentation of tumor antigens and low infiltration of specific cytotoxic T lymphocytes (CTLs) result in insufficient immunogenicity, which limits the efficacy of immunotherapy. Despite [...] Read more.
The incidence of primary liver cancer is increasing annually, with extremely high mortality and suboptimal therapeutic outcomes. The inefficient presentation of tumor antigens and low infiltration of specific cytotoxic T lymphocytes (CTLs) result in insufficient immunogenicity, which limits the efficacy of immunotherapy. Despite the popularity of immune checkpoint inhibitors (ICIs), insufficient immune activation means only a small subset of hepatocellular carcinoma (HCC) patients exhibit clinical responses to ICIs, showing significant inter-individual variability. The activation of the cyclic GMP-AMP synthase(cGAS)- stimulator of interferon genes(STING) pathway initiates the expression of type I interferons (IFNs) and inflammatory cytokines, promoting the formation of a pro-inflammatory environment at the tumor site. This pathway enhances anti-tumor immune responses by facilitating antigen processing and presentation, T cell priming and activation, and remodeling of the immunosuppressive microenvironment. Our research found that cucurbitacin B (CuB), a natural component derived from traditional Chinese medicine, had significant anti-hepatocellular carcinoma properties and exerted anti-tumor effects through the cGAS-STING pathway. Specifically, CuB regulated ferroptosis by down-regulating the expression of Solute Carrier Family 7 Member 11 (SLC7A11) and Glutathione Peroxidase 4 (GPX4) and upregulating the expression of Transferrin Receptor Protein 1 (TFR1) and Long-chain Acyl-CoA Synthetase 4 (ACSL4). These actions involved lipid substrates, iron ion homeostasis, and antioxidant defense systems. The release of mitochondrial DNA (mtDNA) triggered by ferroptosis activated the cGAS-STING immune signaling pathway, leading to the up-regulation of cGAS, phosphorylated STING (p-STING), phosphorylated TANK-binding kinase 1 (TBK1), phosphorylated Interferon regulatory factor3 (IRF3), and Interferon-β (IFN-β). This cascade activation pattern provides new insights into the drug treatment of tumors. Full article
(This article belongs to the Special Issue Therapeutic Effects of Natural Bioactive Compounds in the Management of Human Diseases: 2nd Edition)
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21 pages, 4779 KB  
Article
Integrating Network Pharmacology and Metabolomics to Elucidate the Mechanism of Cryptotanshinone Against Platelet Aggregation
by Jielan Huang, Zhenjie Liu, Baolin Wang, Haixin Qiu, Qiujie Chen, Jinyan Xian, Shen Liu, Xiaoxiu Shi, Ting Xia, Xiaoqing Tan, Wenhui Jiang, Yuanle Shen, Liuping Wang and Jianfang Feng
Curr. Issues Mol. Biol. 2025, 47(11), 953; https://doi.org/10.3390/cimb47110953 - 17 Nov 2025
Cited by 3 | Viewed by 1267
Abstract
Cryptotanshinone (CTS), an antiplatelet compound from Salvia miltiorrhiza, exhibits in vitro potency comparable to aspirin. This study integrated network pharmacology and metabolomics to elucidate its underlying mechanisms. An acute blood stasis model was induced in Sprague-Dawley rats using epinephrine and ice-water immersion. [...] Read more.
Cryptotanshinone (CTS), an antiplatelet compound from Salvia miltiorrhiza, exhibits in vitro potency comparable to aspirin. This study integrated network pharmacology and metabolomics to elucidate its underlying mechanisms. An acute blood stasis model was induced in Sprague-Dawley rats using epinephrine and ice-water immersion. Animals were assigned to seven groups. Platelet aggregation was measured turbidimetrically using arachidonic acid (AA) and adenosine diphosphate (ADP) as agonists. Core targets were predicted by network pharmacology, differential metabolites were screened, and pathways were enriched using untargeted metabolomics. Integrated analysis identified shared pathways and key targets, validated by molecular docking. AA- and ADP-induced aggregation was significantly increased in model rats versus the blank group. CTS at all doses markedly inhibited aggregation in a dose-dependent manner. Network pharmacology identified 15 core targets. Metabolomics identified 51 differential metabolites enriched in seven pathways, including glycerophospholipid and butanoate metabolism. Integrated analysis revealed five common pathways: linoleic acid metabolism, arginine biosynthesis, AA metabolism, glutathione metabolism, and drug metabolism—and four key targets (CYP3A4, NOS3, PTGS2, and GSTP1). Molecular docking showed strong binding energies (<−9 kcal/mol) between CTS and these targets. CTS inhibits platelet aggregation by regulating CYP3A4, NOS3, PTGS2, and GSTP1 and intervening in five metabolic pathways, supporting its potential as an anti-platelet agent. Full article
(This article belongs to the Special Issue Therapeutic Effects of Natural Bioactive Compounds in the Management of Human Diseases: 2nd Edition)
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19 pages, 8898 KB  
Article
Chemical Composition of Clove and Fennel Seed Essential Oils and a Comparison of Their In Silico and In Vitro Antibacterial Activity with That of Their Main Compounds
by Achraf Abdou, Fatima Ezzahra Maaghloud, Fatima Zahra Kamal, Said Rammali, Alin Ciobica, Vasile Burlui, Cristina Albert, Abdelhakim Elmakssoudi, Bogdan Novac and Mohamed Dakir
Curr. Issues Mol. Biol. 2025, 47(9), 694; https://doi.org/10.3390/cimb47090694 - 27 Aug 2025
Cited by 2 | Viewed by 2612
Abstract
This study aimed to assess the chemical composition and antibacterial potential of essential oils (EOs) from two plants: clove buds (Syzygium aromaticum) and fennel seeds (Foeniculum vulgare) EOs. The major compounds, eugenol and estragole, were isolated from these oils [...] Read more.
This study aimed to assess the chemical composition and antibacterial potential of essential oils (EOs) from two plants: clove buds (Syzygium aromaticum) and fennel seeds (Foeniculum vulgare) EOs. The major compounds, eugenol and estragole, were isolated from these oils and tested against Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa. The EOs were obtained via hydrodistillation and analyzed using Gas Chromatography–Mass Spectrometry (GC-MS). Clove oil was found to be rich in eugenol (68.51%), while fennel seed oil was dominated by estragole (93.30%). Antibacterial activity, assessed by the agar disc diffusion method and supported by MIC/MBC testing, revealed that eugenol exhibited the highest efficacy, with MIC values ranging from 0.58 to 1.15 mg/mL and MBC values from 1.15 to 2.30 mg/mL, particularly against S. aureus and P. aeruginosa. In silico analysis was conducted to evaluate pharmacokinetics, toxicity, and molecular docking interactions. ADME predictions indicated good oral bioavailability and high membrane permeability for both compounds, with eugenol displaying superior solubility and better compliance with Lipinski’s Rule of Five. Molecular docking simulations confirmed the antibacterial potential, with eugenol showing stronger binding affinities to bacterial targets (−7.8 kcal/mol), forming more stable and diverse interactions compared to estragole. However, toxicity predictions indicated potential mutagenic, carcinogenic, and cardiotoxic (hERG inhibition) risks for both compounds. Full article
(This article belongs to the Special Issue Therapeutic Effects of Natural Bioactive Compounds in the Management of Human Diseases: 2nd Edition)
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Review

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52 pages, 2994 KB  
Review
Plant Terpenoids in Cardioprotection: An Overview of Their Therapeutic Potential
by José L. Ríos-López, José Blanco-Salas, Guadalupe Cumplido-Laso and María P. Hortigón-Vinagre
Curr. Issues Mol. Biol. 2026, 48(5), 479; https://doi.org/10.3390/cimb48050479 - 5 May 2026
Viewed by 462
Abstract
Cardiovascular diseases are the leading cause of morbidity and mortality worldwide, making the search for new therapeutic strategies to prevent or mitigate cardiac damage mandatory. Essential oils, long used in traditional medicine, contain terpenoids as their most prominent constituents, and these molecules have [...] Read more.
Cardiovascular diseases are the leading cause of morbidity and mortality worldwide, making the search for new therapeutic strategies to prevent or mitigate cardiac damage mandatory. Essential oils, long used in traditional medicine, contain terpenoids as their most prominent constituents, and these molecules have emerged as promising cardioprotective agents. The review compiles 45 articles investigating the effects of plant-derived terpenoids on cardiovascular health. Evidence shows that their therapeutic properties rely on their antioxidant, anti-inflammatory, anti-apoptotic, anti-remodeling, antiarrhythmic, antihypertensive, anti-atherosclerotic, antidiabetic and antimicrobial actions. These effects result from the modulation of molecular pathways altered during cardiovascular diseases, resulting in oxidative stress, inflammation, cell death, fibrosis, ion channel dysregulation, alteration of lipid metabolism and glucose homeostasis. Key mechanisms of terpenes healing properties include activation of endogenous antioxidant defense—mainly via Nrf2-, inhibition of NLRP3 inflammosome-mediated pyroptosis and reduction in lipid oxidation involved in atherosclerotic plaque formation. Their therapeutic potential is reinforced by low toxicity profiles and broad botanical availability. However, challenges related to their translation to therapeutic practice remain unresolved, such as low bioavailability, limited yield and scarce results in human in vitro models. Future research should focus on nano- and micro-delivery systems, biotechnological production strategies and the use of human induced pluripotent stem cell-derived cardiomyocytes. Despite these limitations, terpenes represent valuable templates for developing more potent and clinically viable therapeutic agents. Further studies of this family are encouraged due to its promising ability to treat cardiovascular disorders. Full article
(This article belongs to the Special Issue Therapeutic Effects of Natural Bioactive Compounds in the Management of Human Diseases: 2nd Edition)
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Other

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12 pages, 2366 KB  
Brief Report
Effects of Eucommia ulmoides Oliver Extracts on Odontoblast Differentiation in Human Dental Pulp Stem Cells
by Hye-Ock Jang, Ji-Min Ju, Soo-Kyung Bae, Da-Sol Kim and Hyung-Ryong Kim
Curr. Issues Mol. Biol. 2025, 47(10), 805; https://doi.org/10.3390/cimb47100805 - 1 Oct 2025
Viewed by 1312
Abstract
Eucommia ulmoides Oliver (E. ulmoides), a traditional medicinal plant, has been widely used for its antioxidant and anti-inflammatory properties. However, its effects on dental tissue regeneration remain largely unexplored. In this study, we investigated the odontogenic potential of E. ulmoides extract [...] Read more.
Eucommia ulmoides Oliver (E. ulmoides), a traditional medicinal plant, has been widely used for its antioxidant and anti-inflammatory properties. However, its effects on dental tissue regeneration remain largely unexplored. In this study, we investigated the odontogenic potential of E. ulmoides extract in human dental pulp stem cells (hDPSCs). Cell viability was assessed using the cell counting kit-8 (CCK-8) assay, and antioxidant activity was evaluated via the DPPH radical scavenging method. Odontoblast differentiation was examined using Alizarin Red S (ARS) staining, real-time PCR, and Western blot analysis of key differentiation markers, including dentin matrix protein 1 (DMP-1) and dentin sialophosphoprotein (DSPP). Our results demonstrated that E. ulmoides extract enhanced mineralization and upregulated both gene and protein expression of odontoblast differentiation markers in a dose-dependent manner. Furthermore, signaling pathway analysis revealed that E. ulmoides extract activated the SMAD pathway while downregulating ERK and p38 MAPK phosphorylation during odontogenic differentiation. These findings suggest that E. ulmoides extract promotes odontoblast differentiation in hDPSCs and may serve as a promising natural agent for dental tissue regeneration. These findings further underscore its potential clinical relevance as a therapeutic candidate to enhance dental tissue repair and regeneration. Full article
(This article belongs to the Special Issue Therapeutic Effects of Natural Bioactive Compounds in the Management of Human Diseases: 2nd Edition)
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