Berries as Nature’s Therapeutics: Exploring the Potential of <i>Vaccinium</i> Metabolites in Gastric Cancer Treatment Through Computational Insights
Berries from the <i>Vaccinium</i> genus, known for their rich array of bioactive metabolites, are recognized for their antioxidant, anti-inflammatory, and anticancer properties. These compounds, including anthocyanins, flavonoids, and phenolic acids, have attracted significant attention...
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MDPI AG
2025-03-01
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| Online Access: | https://www.mdpi.com/2075-1729/15/3/406 |
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| author | Angelica Rachel Carpio Nicholas Dale Talubo Po-Wei Tsai Bor-Yann Chen Lemmuel L. Tayo |
| author_facet | Angelica Rachel Carpio Nicholas Dale Talubo Po-Wei Tsai Bor-Yann Chen Lemmuel L. Tayo |
| author_sort | Angelica Rachel Carpio |
| collection | DOAJ |
| description | Berries from the <i>Vaccinium</i> genus, known for their rich array of bioactive metabolites, are recognized for their antioxidant, anti-inflammatory, and anticancer properties. These compounds, including anthocyanins, flavonoids, and phenolic acids, have attracted significant attention for their potential health benefits, particularly in cancer prevention and treatment. Gastric cancer (GC), a leading cause of cancer-related deaths worldwide, remains challenging to treat, especially in its advanced stages. This study investigates the therapeutic potential of <i>Vaccinium</i> species in GC treatment using computational methods. RNA sequencing revealed upregulated genes associated with GC, while network pharmacology and molecular docking approaches identified strong interactions between cyanidin 3-O-glucoside (C3G), a key bioactive metabolite. Furthermore, molecular dynamics simulations of the HSP90AA1-C3G complex demonstrated stable binding and structural integrity, suggesting that C3G may inhibit HSP90AA1, a protein involved in cancer progression. These findings highlight the therapeutic potential of <i>Vaccinium</i> metabolites, offering a novel approach to GC treatment by targeting key molecular pathways. This research provides valuable insights into the role of berries as natural therapeutics, supporting their integration into future gastric cancer treatment strategies. |
| format | Article |
| id | doaj-art-496b17a2e137455ab3932f4c40e4a419 |
| institution | OA Journals |
| issn | 2075-1729 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Life |
| spelling | doaj-art-496b17a2e137455ab3932f4c40e4a4192025-08-20T01:48:52ZengMDPI AGLife2075-17292025-03-0115340610.3390/life15030406Berries as Nature’s Therapeutics: Exploring the Potential of <i>Vaccinium</i> Metabolites in Gastric Cancer Treatment Through Computational InsightsAngelica Rachel Carpio0Nicholas Dale Talubo1Po-Wei Tsai2Bor-Yann Chen3Lemmuel L. Tayo4School of Chemical, Biological, and Materials Engineering and Sciences, School of Graduate Studies, Mapúa University, Manila 1002, PhilippinesSchool of Chemical, Biological, and Materials Engineering and Sciences, School of Graduate Studies, Mapúa University, Manila 1002, PhilippinesDepartment of Food Science, National Taiwan Ocean University, Keelung 202, TaiwanDepartment of Chemical and Materials Engineering, National I-Lan University, I-Lan 260, TaiwanDepartment of Biology, School of Health Sciences, Mapúa University, Makati 1200, PhilippinesBerries from the <i>Vaccinium</i> genus, known for their rich array of bioactive metabolites, are recognized for their antioxidant, anti-inflammatory, and anticancer properties. These compounds, including anthocyanins, flavonoids, and phenolic acids, have attracted significant attention for their potential health benefits, particularly in cancer prevention and treatment. Gastric cancer (GC), a leading cause of cancer-related deaths worldwide, remains challenging to treat, especially in its advanced stages. This study investigates the therapeutic potential of <i>Vaccinium</i> species in GC treatment using computational methods. RNA sequencing revealed upregulated genes associated with GC, while network pharmacology and molecular docking approaches identified strong interactions between cyanidin 3-O-glucoside (C3G), a key bioactive metabolite. Furthermore, molecular dynamics simulations of the HSP90AA1-C3G complex demonstrated stable binding and structural integrity, suggesting that C3G may inhibit HSP90AA1, a protein involved in cancer progression. These findings highlight the therapeutic potential of <i>Vaccinium</i> metabolites, offering a novel approach to GC treatment by targeting key molecular pathways. This research provides valuable insights into the role of berries as natural therapeutics, supporting their integration into future gastric cancer treatment strategies.https://www.mdpi.com/2075-1729/15/3/406cyanidin 3-O-glucosidegastric cancermolecular dockingmolecular dynamics<i>Vaccinium</i> species |
| spellingShingle | Angelica Rachel Carpio Nicholas Dale Talubo Po-Wei Tsai Bor-Yann Chen Lemmuel L. Tayo Berries as Nature’s Therapeutics: Exploring the Potential of <i>Vaccinium</i> Metabolites in Gastric Cancer Treatment Through Computational Insights Life cyanidin 3-O-glucoside gastric cancer molecular docking molecular dynamics <i>Vaccinium</i> species |
| title | Berries as Nature’s Therapeutics: Exploring the Potential of <i>Vaccinium</i> Metabolites in Gastric Cancer Treatment Through Computational Insights |
| title_full | Berries as Nature’s Therapeutics: Exploring the Potential of <i>Vaccinium</i> Metabolites in Gastric Cancer Treatment Through Computational Insights |
| title_fullStr | Berries as Nature’s Therapeutics: Exploring the Potential of <i>Vaccinium</i> Metabolites in Gastric Cancer Treatment Through Computational Insights |
| title_full_unstemmed | Berries as Nature’s Therapeutics: Exploring the Potential of <i>Vaccinium</i> Metabolites in Gastric Cancer Treatment Through Computational Insights |
| title_short | Berries as Nature’s Therapeutics: Exploring the Potential of <i>Vaccinium</i> Metabolites in Gastric Cancer Treatment Through Computational Insights |
| title_sort | berries as nature s therapeutics exploring the potential of i vaccinium i metabolites in gastric cancer treatment through computational insights |
| topic | cyanidin 3-O-glucoside gastric cancer molecular docking molecular dynamics <i>Vaccinium</i> species |
| url | https://www.mdpi.com/2075-1729/15/3/406 |
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