{"title":"解锁抗衰老潜力:虾青素、姜黄素、槲皮素和白藜芦醇在调节皮肤衰老途径中的硅分析","authors":"Debora Gonçalves Barbosa , Karen Ruth Michio Barbosa , Yasmin Moreto Guaitolini , Matheus Correia Casotti , Rahna Gonçalves Coutinho da Cruz , Lorena Souza Castro Altoé , Isabele Pagani Pavan , Elizeu Fagundes de Carvalho , Iúri Drumond Louro , Débora Dummer Meira","doi":"10.1016/j.compbiolchem.2025.108633","DOIUrl":null,"url":null,"abstract":"<div><div>Multiple studies have linked aging to a result of the inflammatory response. Thus, there is a recognized need for cosmeceuticals that modulate inflammation pathways to prevent and treat aging. In this sense, four bioactive compounds were selected for their documented anti-inflammatory/antioxidant properties. Therefore, this study aimed to evaluate whether the bioactive compounds astaxanthin, curcumin, quercetin, and resveratrol are effective in treating the effects of skin aging, using <em>in silico</em> analyses. Protein-protein interaction networks (PPINs) related to skin aging and the bioactive compounds astaxanthin, curcumin, quercetin, and resveratrol were generated using the <em>Cytoscape plug-in</em> to analyze the functional enrichment of recovered proteins. From these main networks, clusters and bottleneck networks were generated. Initially, 5 main PPINs were generated. From the clusters recovered from the main networks, 3 were selected from the general network and 11 from the specific networks. Through functional enrichment of the clusters, the biological process of response to oxidative stress was identified. Blood and blood-forming tissue, vascular, and immune system abnormality phenotypes were also observed, along with an increase in inflammatory response. Additionally, Reactome pathways related to interleukin signaling and detoxification of reactive oxygen species were noted. Finally, the key genes for each network were identified from the bottleneck networks: <em>IL-6</em> (general and astaxanthin), <em>TAB1</em> (curcumin), <em>TNF-α</em> (quercetin), and <em>TP53</em> (resveratrol). Based on this research, the analyzed bioactive compounds suggest potential efficacy to be included in cosmetic products, as they are capable of reducing excessive oxidative stress and inflammatory processes, consequently preventing cellular aging.</div></div>","PeriodicalId":10616,"journal":{"name":"Computational Biology and Chemistry","volume":"120 ","pages":"Article 108633"},"PeriodicalIF":3.1000,"publicationDate":"2025-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Unlocking the anti-aging potential: In silico analysis of astaxanthin, curcumin, quercetin, and resveratrol in modulating skin aging pathways\",\"authors\":\"Debora Gonçalves Barbosa , Karen Ruth Michio Barbosa , Yasmin Moreto Guaitolini , Matheus Correia Casotti , Rahna Gonçalves Coutinho da Cruz , Lorena Souza Castro Altoé , Isabele Pagani Pavan , Elizeu Fagundes de Carvalho , Iúri Drumond Louro , Débora Dummer Meira\",\"doi\":\"10.1016/j.compbiolchem.2025.108633\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Multiple studies have linked aging to a result of the inflammatory response. Thus, there is a recognized need for cosmeceuticals that modulate inflammation pathways to prevent and treat aging. In this sense, four bioactive compounds were selected for their documented anti-inflammatory/antioxidant properties. Therefore, this study aimed to evaluate whether the bioactive compounds astaxanthin, curcumin, quercetin, and resveratrol are effective in treating the effects of skin aging, using <em>in silico</em> analyses. Protein-protein interaction networks (PPINs) related to skin aging and the bioactive compounds astaxanthin, curcumin, quercetin, and resveratrol were generated using the <em>Cytoscape plug-in</em> to analyze the functional enrichment of recovered proteins. From these main networks, clusters and bottleneck networks were generated. Initially, 5 main PPINs were generated. From the clusters recovered from the main networks, 3 were selected from the general network and 11 from the specific networks. Through functional enrichment of the clusters, the biological process of response to oxidative stress was identified. Blood and blood-forming tissue, vascular, and immune system abnormality phenotypes were also observed, along with an increase in inflammatory response. Additionally, Reactome pathways related to interleukin signaling and detoxification of reactive oxygen species were noted. Finally, the key genes for each network were identified from the bottleneck networks: <em>IL-6</em> (general and astaxanthin), <em>TAB1</em> (curcumin), <em>TNF-α</em> (quercetin), and <em>TP53</em> (resveratrol). Based on this research, the analyzed bioactive compounds suggest potential efficacy to be included in cosmetic products, as they are capable of reducing excessive oxidative stress and inflammatory processes, consequently preventing cellular aging.</div></div>\",\"PeriodicalId\":10616,\"journal\":{\"name\":\"Computational Biology and Chemistry\",\"volume\":\"120 \",\"pages\":\"Article 108633\"},\"PeriodicalIF\":3.1000,\"publicationDate\":\"2025-08-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computational Biology and Chemistry\",\"FirstCategoryId\":\"99\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1476927125002944\",\"RegionNum\":4,\"RegionCategory\":\"生物学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"BIOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computational Biology and Chemistry","FirstCategoryId":"99","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1476927125002944","RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"BIOLOGY","Score":null,"Total":0}
Unlocking the anti-aging potential: In silico analysis of astaxanthin, curcumin, quercetin, and resveratrol in modulating skin aging pathways
Multiple studies have linked aging to a result of the inflammatory response. Thus, there is a recognized need for cosmeceuticals that modulate inflammation pathways to prevent and treat aging. In this sense, four bioactive compounds were selected for their documented anti-inflammatory/antioxidant properties. Therefore, this study aimed to evaluate whether the bioactive compounds astaxanthin, curcumin, quercetin, and resveratrol are effective in treating the effects of skin aging, using in silico analyses. Protein-protein interaction networks (PPINs) related to skin aging and the bioactive compounds astaxanthin, curcumin, quercetin, and resveratrol were generated using the Cytoscape plug-in to analyze the functional enrichment of recovered proteins. From these main networks, clusters and bottleneck networks were generated. Initially, 5 main PPINs were generated. From the clusters recovered from the main networks, 3 were selected from the general network and 11 from the specific networks. Through functional enrichment of the clusters, the biological process of response to oxidative stress was identified. Blood and blood-forming tissue, vascular, and immune system abnormality phenotypes were also observed, along with an increase in inflammatory response. Additionally, Reactome pathways related to interleukin signaling and detoxification of reactive oxygen species were noted. Finally, the key genes for each network were identified from the bottleneck networks: IL-6 (general and astaxanthin), TAB1 (curcumin), TNF-α (quercetin), and TP53 (resveratrol). Based on this research, the analyzed bioactive compounds suggest potential efficacy to be included in cosmetic products, as they are capable of reducing excessive oxidative stress and inflammatory processes, consequently preventing cellular aging.
期刊介绍:
Computational Biology and Chemistry publishes original research papers and review articles in all areas of computational life sciences. High quality research contributions with a major computational component in the areas of nucleic acid and protein sequence research, molecular evolution, molecular genetics (functional genomics and proteomics), theory and practice of either biology-specific or chemical-biology-specific modeling, and structural biology of nucleic acids and proteins are particularly welcome. Exceptionally high quality research work in bioinformatics, systems biology, ecology, computational pharmacology, metabolism, biomedical engineering, epidemiology, and statistical genetics will also be considered.
Given their inherent uncertainty, protein modeling and molecular docking studies should be thoroughly validated. In the absence of experimental results for validation, the use of molecular dynamics simulations along with detailed free energy calculations, for example, should be used as complementary techniques to support the major conclusions. Submissions of premature modeling exercises without additional biological insights will not be considered.
Review articles will generally be commissioned by the editors and should not be submitted to the journal without explicit invitation. However prospective authors are welcome to send a brief (one to three pages) synopsis, which will be evaluated by the editors.