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Molecular Insights into Antioxidant and Anti-Inflammatory Properties of Bioactive Compounds
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Molecular Insights into Antioxidant and Anti-Inflammatory Properties of Bioactive Compounds

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: closed (20 April 2026) | Viewed by 15723

Special Issue Editor

Dr. Gang Ye

E-Mail Website
Guest Editor
College of Veterinary Medicine, Sichuan Agricultural University, Chengdu 611130, China
Interests: natural product; toxicology; network pharmacology; microbiology and intestinal health
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Bioactive compounds are a class of substances that can cause certain biological effects in the body. They are the main source of small molecule drugs. These compounds are generally easy to penetrate the cell membrane, act on specific target proteins in the cell, regulate intracellular signaling pathways, and then cause some changes in cell phenotype. Inflammation is the defense response of living tissues with a vascular system to the stimulation of various injury factors and plays an extremely important role in the occurrence and development of many major human diseases. Oxidative stress is a concomitant phenomenon in the process of inflammation, which aggravates the inflammatory response through oxidation, and inflammation promotes oxidation through inflammatory mediators. Due to the obvious adverse reactions of the existing chemically synthesized anti-inflammatory drugs, people have paid more and more attention to the research and development of anti-inflammatory and antioxidant drugs from bioactive compounds in recent years.

However, for a long time, the basic theories and methods of natural bioactive molecule discovery research have not been fundamentally improved, and there are still problems such as long discovery cycles, large artificial consumption, and blindness in the discovery process, which seriously restrict innovative research on the discovery of drugs from bioactive compounds. In recent years, with the rapid development of modern analytical technology, metabolomics, bioinformatics, artificial intelligence, etc., there have been weight removal strategies and methods for natural bioactive molecule discovery based on mass spectrometry, nuclear magnetic resonance technology, and other interdisciplinary cross-disciplines in the world, such as molecular network technology, small molecule precise identification technology, etc. The application of these new strategies and methods has greatly improved the discovery efficiency of novel natural bioactive molecules and gradually promoted the transformation of traditional research strategies and methods.

Dr. Gang Ye
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

  • antioxidant
  • anti-inflammatory
  • bioactive compounds
  • artificial intelligence
  • multiomics

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Published Papers (3 papers)

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Research

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16 pages, 3840 KB  
Article
Parishin C Attenuates Oxidative Stress and Inflammation in HT22 Hippocampal Neurons and BV2 Microglia Through Nrf2 Signaling Pathway
by Yichen Wang, Wenze Wu, Xinyan Wu, Basit Ali Shah, Mauro Lombardo and Gang Ye
Int. J. Mol. Sci. 2025, 26(15), 7263; https://doi.org/10.3390/ijms26157263 - 27 Jul 2025
Cited by 3 | Viewed by 2457
Abstract
Parishin C (PaC) is an active ingredient in Gastrodia elata Bl. that has neuroprotective effects. However, research on its role in oxidative stress and neuroinflammation is still limited. This study used LPS–stimulated HT22 cells to investigate the antioxidant properties of PaC. Through the [...] Read more.
Parishin C (PaC) is an active ingredient in Gastrodia elata Bl. that has neuroprotective effects. However, research on its role in oxidative stress and neuroinflammation is still limited. This study used LPS–stimulated HT22 cells to investigate the antioxidant properties of PaC. Through the co–culture system of HT22 and BV2 cells, the effect of PaC on neuroinflammation was explored. The current results indicated that PaC can inhibit the levels of reactive oxygen species and peroxides in LPS–stimulated HT22 cells and increase the levels of antioxidant factors. Meanwhile, PaC can also inhibit neuronal ferroptosis and the levels of pro–inflammatory cytokines in BV2 cells. Importantly, the antioxidant and anti–inflammatory effects of PaC are achieved by activating the Nrf2 signaling pathway. The WB and IF results indicated that PaC can promote nuclear translocation of Nrf2, activate downstream antioxidant factors, and thereby regulate inflammatory responses. Inhibition of Nrf2 can significantly inhibit the regulation of PaC on the Nrf2 signaling pathway. These results indicated that PaC can activate the Nrf2 signaling pathway to inhibit oxidative stress and inflammation. Full article
(This article belongs to the Special Issue Molecular Insights into Antioxidant and Anti-Inflammatory Properties of Bioactive Compounds)
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Review

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22 pages, 1501 KB  
Review
The Convergent Immunopathogenesis of Cigarette Smoke Exposure: From Oxidative Stress to Epigenetic Reprogramming in Chronic Disease
by Aysen Kutan Fenercioglu, Hafize Uzun and Durisehvar Ozer Unal
Int. J. Mol. Sci. 2026, 27(1), 187; https://doi.org/10.3390/ijms27010187 - 24 Dec 2025
Cited by 4 | Viewed by 1427
Abstract
Cigarette smoking is the leading preventable cause of chronic diseases (e.g., COPD, cardiovascular disease, cancer), largely driven by persistent immune-inflammatory mechanisms. This review synthesizes the molecular and cellular cascades linking cigarette smoke (CS) exposure to chronic pathology. CS constituents, particularly ROS/RNS, induce rapid [...] Read more.
Cigarette smoking is the leading preventable cause of chronic diseases (e.g., COPD, cardiovascular disease, cancer), largely driven by persistent immune-inflammatory mechanisms. This review synthesizes the molecular and cellular cascades linking cigarette smoke (CS) exposure to chronic pathology. CS constituents, particularly ROS/RNS, induce rapid oxidative stress that overwhelms antioxidant defenses and generates damage-associated molecular patterns (DAMPs). These DAMPs activate pattern recognition receptors (PRRs) and the NLRP3 inflammasome, initiating NF-κB signaling and the release of pro-inflammatory cytokines (TNF-α, IL-1β, IL-6). CS exposure causes profound innate immune dysregulation, including airway epithelial barrier disruption, hyperactivated neutrophils, and dysfunctional alveolar macrophages (AMs) that release destructive proteases (e.g., MMP-12) and acquire foam-cell–like characteristics. Furthermore, CS drives adaptive immunity toward a Th1/Th17-dominant phenotype while suppressing regulatory T-cell (Treg) function, thereby promoting autoimmunity and chronic tissue injury. Critically, CS induces epigenetic reprogramming (e.g., DNA methylation, miRNA dysregulation), locking immune cells into a persistent pro-inflammatory state. This convergence of oxidative stress, innate and adaptive immune dysregulation, and epigenetic alterations underlies the systemic low-grade inflammation that fuels smoking-related chronic diseases, highlighting key targets for novel therapeutic interventions. Full article
(This article belongs to the Special Issue Molecular Insights into Antioxidant and Anti-Inflammatory Properties of Bioactive Compounds)
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22 pages, 950 KB  
Review
Comparative Analysis of the Antioxidant and Anti-Inflammatory Effects of Krill and Fish Oil
by Esra Tansu Sarıyer, Murat Baş and Meral Yüksel
Int. J. Mol. Sci. 2025, 26(15), 7360; https://doi.org/10.3390/ijms26157360 - 30 Jul 2025
Cited by 3 | Viewed by 11282
Abstract
Krill oil (KO) and fish oil (FO) are rich sources of long-chain polyunsaturated fatty acids, with eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) bound to distinct molecular carriers (phospholipids vs. triglycerides). These oils have been the subject of considerable research interest over the [...] Read more.
Krill oil (KO) and fish oil (FO) are rich sources of long-chain polyunsaturated fatty acids, with eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA) bound to distinct molecular carriers (phospholipids vs. triglycerides). These oils have been the subject of considerable research interest over the past few years owing to their roles extensively studied for their antioxidant and anti-inflammatory properties relevant to disease prevention and therapy in certain diseases. This review aimed to provide a comparative summary of the antioxidant and anti-inflammatory activities of KO and FO, based on their bioactive components, and highlight the similarities and differences in their prospective mechanisms of action. Both oils exert antioxidant and anti-inflammatory activities, aligning with the review focus. The bioactivities of both oils stem from their distinct molecular compositions: KO delivers EPA/DHA via phospholipids, alongside astaxanthin, while FO provides EPA/DHA bound to triglycerides. In some cases, they exhibit similar outcomes, whereas in others, one may be more effective than the other. Further comparative studies examining dose-dependent effects, bioavailability kinetics, and tissue-specific molecular pathways are warranted. Full article
(This article belongs to the Special Issue Molecular Insights into Antioxidant and Anti-Inflammatory Properties of Bioactive Compounds)
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