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Natural Compounds: An Adjuvant Strategy in Cancer Management
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Natural Compounds: An Adjuvant Strategy in Cancer Management

A special issue of Current Issues in Molecular Biology (ISSN 1467-3045). This special issue belongs to the section "Bioorganic Chemistry and Medicinal Chemistry".

Deadline for manuscript submissions: 30 June 2025 | Viewed by 3343

Special Issue Editors

Dr. Monia Cecati

E-Mail Website
Guest Editor
Department of Clinical Sciences, Polytechnic University of Marche, 60020 Ancona, Italy
Interests: dysregulated metabolic pathways; cancer; inflammation; epigenetic modifications
Special Issues, Collections and Topics in MDPI journals
Dr. Arianna Vignini

E-Mail Website
Guest Editor
Department of Clinical Sciences, Università Politecnica delle Marche, 60100 Ancona, Italy
Interests: oxidative and nitrosative stress; bioactive compunds; NCDs; ageing; taste recognition
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

According to the World Health Organization (WHO)’s latest estimates, in 2022, there were 20 million new cancer diagnoses and 9.7 million cancer deaths globally. The therapeutic strategy against cancer depends on several factors, including the type and stage of cancer, a patient’s general health status and their tolerance to chemotherapy treatment (if needed). In fact, adverse drug reactions often force doctor’s to reduce the dose of treatment. As a consequence, patients risk being undertreated, resulting in worsen oncologic outcomes. Phytochemicals (as well phenolics, flavonoids, and carotenoids) are dietary bioactive compounds present in fruits and vegetables known to act, under certain conditions, as pro-oxidant and cytotoxic agents in certain tissues, including tumour cells. Due to their properties, dietary phytochemicals are used to supplement conventional chemotherapy drugs to increase anti-tumor efficacy, or they can be modified to synthesize novel anti-cancer formulations less cytotoxic to normal tissue cells and more effective against cancer. In this Special Issue, we invite authors to submit original research and review articles investigating different metabolic changes in cancer cells due to the administration of natural compounds and their derivatives. Also, we gratefully appreciate all contributions focused on the identification of new therapeutic approaches using vegetable bioactive compounds in patients for improving positive outcomes in cancer treatment.

Dr. Monia Cecati
Dr. Arianna Vignini
Guest Editors

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Keywords

  • cancer
  • phytochemicals
  • bioactive compounds
  • anti-tumor
  • cancer treatment

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Published Papers (5 papers)

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Research

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18 pages, 2515 KiB  
Article
TP53 Is a Potential Target of Juglone Against Colorectal Cancer: Based on a Combination of Molecular Docking, Molecular Dynamics Simulation, and In Vitro Experiments
by Yunting Deng, Yanan Zhang, Xinghai Chen, Weiming Wang and Jinhai Huo
Curr. Issues Mol. Biol. 2025, 47(6), 439; https://doi.org/10.3390/cimb47060439 - 10 Jun 2025
Abstract
Background: Colorectal cancer is the third most common cancer worldwide, accounting for about 10% of all cancer cases. There is an urgent need to improve treatment outcomes and survival rates for colorectal cancer. Juglone is an anthraquinone with anti-inflammatory, antiviral, and anti-cancer properties [...] Read more.
Background: Colorectal cancer is the third most common cancer worldwide, accounting for about 10% of all cancer cases. There is an urgent need to improve treatment outcomes and survival rates for colorectal cancer. Juglone is an anthraquinone with anti-inflammatory, antiviral, and anti-cancer properties that have shown promise in inhibiting tumor cell growth. Objectives: This study aims to explore the mechanism behind Juglone’s anti-cancer effects on colorectal cancer. Methods: Network pharmacology, molecular docking and molecular dynamics simulation were used to explore the specific targets of Juglone in the treatment of colorectal cancer. For in vitro validation, we used the CCK–8 (Cell Counting Kit–8) method, flow cytometry, ROS (Reactive Oxygen Species) detection, and Western blot analysis to assess the survival ability of colorectal cancer cells and validate the expression of proteins most closely associated with the pathways. Results: Network pharmacology identified TP53 as a key target of Juglone, involved in anti-tumor pathways. Molecular docking and molecular dynamics simulations showed that the p53 has strong affinity and stability with Juglone. Results from cytotoxicity experiments, flow cytometry, ROS detection, and Western blotting indicated that the anti-colorectal cancer effect of Juglone depends on concentration and is mediated by promoting intracellular ROS generation and upregulating the expression level of p53 protein, thereby inhibiting the progression of colorectal cancer. Conclusions: Juglone can achieve anti-colorectal cancer effects by increasing ROS levels and regulating the p53 protein. Full article
(This article belongs to the Special Issue Natural Compounds: An Adjuvant Strategy in Cancer Management)
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16 pages, 10401 KiB  
Article
Biomarker Discovery and Molecular Docking Reveal Marsdenia tenacissima Fermentation Product’s Anti-Lung Cancer Components
by Runtian Li, Lintao Li, Runzhi Li, Haiyang Wu and Guifang Dou
Curr. Issues Mol. Biol. 2025, 47(6), 427; https://doi.org/10.3390/cimb47060427 - 6 Jun 2025
Viewed by 160
Abstract
In traditional Chinese medicine, Marsdenia tenacissima is employed to prevent and treat lung cancer. The anti-tumor properties are further amplified by the fermentation product of Ganoderma lucidum and Marsdenia tenacissima (MGF). Nevertheless, the efficacy of the chemical components in combating lung cancer and [...] Read more.
In traditional Chinese medicine, Marsdenia tenacissima is employed to prevent and treat lung cancer. The anti-tumor properties are further amplified by the fermentation product of Ganoderma lucidum and Marsdenia tenacissima (MGF). Nevertheless, the efficacy of the chemical components in combating lung cancer and the potential therapeutic targets for treating the disease remain ambiguous. UPLC-Q-TOF/MS was used to identify 19 components, all of which are unique C21 steroidal saponins found in MGF. The analysis of network pharmacology indicated that the active targets of these components were significantly concentrated in lung cancer and had a strong connection with cell proliferation. The bioinformatics analysis was conducted on data from TCGA and DisGeNET to identify a total of 28 biomarkers. Furthermore, our findings showed that the 19 targets connected to the active ingredients of Marsdenia tenacissima demonstrated significant enrichment in both the EGFR and apoptosis signaling pathways. Molecular docking technology was utilized to confirm the binding interactions of the primary constituents with the designated target. Full article
(This article belongs to the Special Issue Natural Compounds: An Adjuvant Strategy in Cancer Management)
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13 pages, 4323 KiB  
Article
D-Limonene Exhibits Antiproliferative Activity Against Human Colorectal Adenocarcinoma (Caco-2) Cells via Regulation of Inflammatory and Apoptotic Pathways
by Abdullah A. A. Alghamdi
Curr. Issues Mol. Biol. 2025, 47(5), 370; https://doi.org/10.3390/cimb47050370 - 18 May 2025
Viewed by 353
Abstract
Current therapies for colorectal cancer (CRC) are associated with significant side effects and limitations, driving the search for novel therapeutic approaches. This study investigated the antiproliferative potential of D-limonene, a natural compound, on human colorectal adenocarcinoma (Caco-2) cells and analyzed its underlying mechanisms. [...] Read more.
Current therapies for colorectal cancer (CRC) are associated with significant side effects and limitations, driving the search for novel therapeutic approaches. This study investigated the antiproliferative potential of D-limonene, a natural compound, on human colorectal adenocarcinoma (Caco-2) cells and analyzed its underlying mechanisms. Caco-2 cells were treated with D-limonene or doxorubicin (DOX) for 24 h. Cell viability was assessed using the MTT assay, with D-limonene and DOX showing IC50 values of 18.6 and 6.4 µM, respectively. In comparison to controls, D-limonene treatment dramatically enhanced the formation of reactive oxygen species (ROS) and decreased cellular antioxidant capacity, as seen by concentration-dependent lower glutathione (GSH) levels. The substance also increased the levels of pro-apoptotic proteins (caspase-3, Bax), tumor suppressor p53, lactate dehydrogenase (LDH), and inflammatory indicators [tumor necrosis factor alpha (TNF-α) and interleukin-1 beta (IL-1β)]. Furthermore, in a concentration-dependent way, D-limonene therapy decreased the levels of matrix metalloproteinases (MMP2, MMP9), proliferation marker Ki67, and the anti-apoptotic protein Bcl-2. These results imply that the induction of oxidative stress, inflammation, and apoptotic pathways mediates D-limonene’s antiproliferative actions in colon cancer cells. Our findings show that D-limonene has therapeutic promise as a natural substitute for the treatment of colorectal cancer. Full article
(This article belongs to the Special Issue Natural Compounds: An Adjuvant Strategy in Cancer Management)
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Review

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18 pages, 804 KiB  
Review
Herbal Medicine in Breast Cancer Therapy: Mechanisms, Evidence, and Future Perspectives
by Hsien-Chang Wu, Chung-Che Tsai, Po-Chih Hsu and Chan-Yen Kuo
Curr. Issues Mol. Biol. 2025, 47(5), 362; https://doi.org/10.3390/cimb47050362 - 15 May 2025
Viewed by 577
Abstract
Breast cancer remains a leading global cause of cancer-related mortality among women, requiring the development of safer and more effective therapeutic strategies. Herbal medicines have gained increasing attention as complementary approaches due to their multi-targeted actions, more limited toxicities, and the potential ability [...] Read more.
Breast cancer remains a leading global cause of cancer-related mortality among women, requiring the development of safer and more effective therapeutic strategies. Herbal medicines have gained increasing attention as complementary approaches due to their multi-targeted actions, more limited toxicities, and the potential ability to overcome resistance associated with conventional treatments. This review highlights the antitumor properties and underlying mechanisms of several well-studied herbal compounds, including curcumin, resveratrol, epigallocatechin gallate, withaferin A, thymoquinone, baicalin, berberine, Oldenlandia diffusa, and Salvia miltiorrhiza. These phytochemicals exert antitumor effects by inducing apoptosis, inhibiting cell proliferation and metastasis, modulating immune responses, and sensitizing tumor cells to chemotherapy and radiotherapy. Furthermore, many of these agents regulate key signaling pathways, such as nuclear factor kappa-light-chain-enhancer of activated B cells, phosphatidylinositol 3-kinase/AKT, p53, signal transducer and activator of transcription 3, and extracellular signal-regulated kinases 1/2, and the tumor microenvironment. Despite promising preclinical and early clinical evidence, challenges remain regarding the bioavailability, standardization, and large-scale clinical validation of these phytochemicals. This review underscores the therapeutic potential of herbal medicines in breast cancer treatment and advocates for further research to facilitate their integration into evidence-based oncology practice. Full article
(This article belongs to the Special Issue Natural Compounds: An Adjuvant Strategy in Cancer Management)
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16 pages, 1516 KiB  
Review
Luteolin in Inflammatory Bowel Disease and Colorectal Cancer: A Disease Continuum Perspective
by Fang Liu, Cui Guo, Xue Liu, Zhili Gu, Wenxuan Zou, Xuegui Tang and Jianyuan Tang
Curr. Issues Mol. Biol. 2025, 47(2), 126; https://doi.org/10.3390/cimb47020126 - 14 Feb 2025
Viewed by 1667
Abstract
Inflammatory bowel disease (IBD) is a chronic intestinal inflammatory condition that may progress to colorectal cancer (CRC), presenting significant challenges to global health. With shifts in lifestyle, the incidence of both conditions continues to rise, underscoring the urgent need for effective treatments. While [...] Read more.
Inflammatory bowel disease (IBD) is a chronic intestinal inflammatory condition that may progress to colorectal cancer (CRC), presenting significant challenges to global health. With shifts in lifestyle, the incidence of both conditions continues to rise, underscoring the urgent need for effective treatments. While traditional therapies can be effective, their high recurrence rates and associated adverse reactions limit their broader application. Luteolin, a flavonoid derived from natural plants, has emerged as a promising focus in both IBD and CRC research due to its multi-target therapeutic potential. This article reviews the molecular mechanisms and signaling pathways through which luteolin regulates immune cell differentiation, mitigates inflammation and oxidative stress, modulates gut microbiota, and restores intestinal mucosal barrier function in IBD. In the context of CRC, luteolin demonstrates significant anti-tumor effects by inhibiting cancer cell proliferation, inducing apoptosis, and suppressing cell migration and invasion. Notably, luteolin has demonstrated significant improvements in IBD symptoms by influencing the differentiation of T cell subsets, decreasing the expression of inflammatory mediators, activating antioxidant pathways, and enhancing the structure of gut microbiota. Furthermore, advancements in formulation technology, such as the use of polymer micelles and responsive nanoparticles, have greatly improved the bioavailability and efficacy of luteolin. However, further investigation is needed to address the bioavailability and potential toxicity of luteolin, particularly in the critical transition from IBD to CRC. This article emphasizes the potential of luteolin in the treatment of IBD and CRC and anticipates its promising prospects for future clinical applications as a natural therapeutic agent. Full article
(This article belongs to the Special Issue Natural Compounds: An Adjuvant Strategy in Cancer Management)
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