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| Main Authors: | , , , , , |
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| Format: | Artículo científico |
| Language: | en |
| Published: |
Marine drugs
2025
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| Subjects: | |
| Online Access: | https://pubmed.ncbi.nlm.nih.gov/40278270/ |
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| _version_ | 1868266211783999489 |
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| author | Chen, Yung-Husan Hsieh, Cheng-Yang Chiou, Chun-Tang Caro, Engelo John Gabriel V Tayo, Lemmuel L Tsai, Po-Wei |
| author_facet | Chen, Yung-Husan Hsieh, Cheng-Yang Chiou, Chun-Tang Caro, Engelo John Gabriel V Tayo, Lemmuel L Tsai, Po-Wei Chen, Yung-Husan Hsieh, Cheng-Yang Chiou, Chun-Tang Caro, Engelo John Gabriel V Tayo, Lemmuel L Tsai, Po-Wei |
| collection | PubMed - marine biology |
| contents | In Vitro and In Silico Studies on the Anti-H1N1 Activity of Bioactive Compounds from Marine-Derived . Chen, Yung-Husan Hsieh, Cheng-Yang Chiou, Chun-Tang Caro, Engelo John Gabriel V Tayo, Lemmuel L Tsai, Po-Wei Influenza A Virus, H1N1 Subtype Streptomyces Molecular Docking Simulation Antiviral Agents Humans Carbolines Computer Simulation Aquatic Organisms Animals Protein Interaction Maps This study explores the potential anti-H1N1 Influenza A activity of bioactive compounds extracted from , a marine-derived microorganism known for producing diverse secondary metabolites. Four major compounds-1-acetyl-β-carboline, 1-indole-3-carbaldehyde, anthranilic acid, and indole-3-carboxylic acid-were isolated and characterized through NMR. Among these, the identified structure of 1-acetyl-β-carboline showed the highest IC effect, with a dose of 9.71 μg/mL in anti-influenza assays. Using network pharmacology and molecular docking analyses, the interactions of these compounds with key proteins involved in H1N1 pathogenesis were examined. Protein-protein interaction (PPI) networks and Gene Ontology enrichment analysis revealed CDC25B, PARP1, and PTGS2 as key targets, associating these compounds with pathways related to catalytic activity, inflammation, and cell cycle regulation. The molecular docking results demonstrated that 1-acetyl-β-carboline exhibited binding affinities comparable to Tamiflu, the positive control drug, with LibDock scores of 81.89, 77.49, and 89.21 for CDC25B, PARP1, and PTGS2, respectively, compared to Tamiflu's scores of 84.34, 86.13, and 91.29. These findings highlight the potential of the active compound 1-acetyl-β-carboline from as a novel anti-influenza agent, offering insights into their molecular mechanisms of action. The results support further in vitro and in vivo studies to validate the observed inhibitory mechanisms and therapeutic applications against H1N1 Influenza A. |
| format | Artículo científico |
| id | pubmed_40278270 |
| institution | PubMed |
| language | en |
| publishDate | 2025 |
| publisher | Marine drugs |
| record_format | pubmed |
| spellingShingle | In Vitro and In Silico Studies on the Anti-H1N1 Activity of Bioactive Compounds from Marine-Derived . Chen, Yung-Husan Hsieh, Cheng-Yang Chiou, Chun-Tang Caro, Engelo John Gabriel V Tayo, Lemmuel L Tsai, Po-Wei Influenza A Virus, H1N1 Subtype Streptomyces Molecular Docking Simulation Antiviral Agents Humans Carbolines Computer Simulation Aquatic Organisms Animals Protein Interaction Maps In Vitro and In Silico Studies on the Anti-H1N1 Activity of Bioactive Compounds from Marine-Derived . Chen, Yung-Husan Hsieh, Cheng-Yang Chiou, Chun-Tang Caro, Engelo John Gabriel V Tayo, Lemmuel L Tsai, Po-Wei Influenza A Virus, H1N1 Subtype Streptomyces Molecular Docking Simulation Antiviral Agents Humans Carbolines Computer Simulation Aquatic Organisms Animals Protein Interaction Maps This study explores the potential anti-H1N1 Influenza A activity of bioactive compounds extracted from , a marine-derived microorganism known for producing diverse secondary metabolites. Four major compounds-1-acetyl-β-carboline, 1-indole-3-carbaldehyde, anthranilic acid, and indole-3-carboxylic acid-were isolated and characterized through NMR. Among these, the identified structure of 1-acetyl-β-carboline showed the highest IC effect, with a dose of 9.71 μg/mL in anti-influenza assays. Using network pharmacology and molecular docking analyses, the interactions of these compounds with key proteins involved in H1N1 pathogenesis were examined. Protein-protein interaction (PPI) networks and Gene Ontology enrichment analysis revealed CDC25B, PARP1, and PTGS2 as key targets, associating these compounds with pathways related to catalytic activity, inflammation, and cell cycle regulation. The molecular docking results demonstrated that 1-acetyl-β-carboline exhibited binding affinities comparable to Tamiflu, the positive control drug, with LibDock scores of 81.89, 77.49, and 89.21 for CDC25B, PARP1, and PTGS2, respectively, compared to Tamiflu's scores of 84.34, 86.13, and 91.29. These findings highlight the potential of the active compound 1-acetyl-β-carboline from as a novel anti-influenza agent, offering insights into their molecular mechanisms of action. The results support further in vitro and in vivo studies to validate the observed inhibitory mechanisms and therapeutic applications against H1N1 Influenza A. |
| title | In Vitro and In Silico Studies on the Anti-H1N1 Activity of Bioactive Compounds from Marine-Derived . |
| topic | Influenza A Virus, H1N1 Subtype Streptomyces Molecular Docking Simulation Antiviral Agents Humans Carbolines Computer Simulation Aquatic Organisms Animals Protein Interaction Maps |
| url | https://pubmed.ncbi.nlm.nih.gov/40278270/ |