Potential Target Metabolites From Gut Microbiota Against Hepatocellular Carcinoma: A Network Pharmacology and Molecular Docking Study
Hepatocellular carcinoma (HCC) is a leading cause of cancer-related deaths worldwide, posing significant challenges and economic burdens on healthcare systems. Gut microbiota metabolites have shown promise in cancer treatment, but the specific active metabolites and their key targets remain unclear....
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| Format: | Article |
| Language: | English |
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Wiley
2024-01-01
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| Series: | International Journal of Microbiology |
| Online Access: | http://dx.doi.org/10.1155/2024/4286228 |
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| author | Sehar Aslam Muhammad Qasim Fatima Noor Muhammad Shahid Usman Ali Ashfaq Samman Munir Helal F. Al-Harthi Mutaib M. Mashraqi Umair Waqas Mohsin Khurshid |
| author_facet | Sehar Aslam Muhammad Qasim Fatima Noor Muhammad Shahid Usman Ali Ashfaq Samman Munir Helal F. Al-Harthi Mutaib M. Mashraqi Umair Waqas Mohsin Khurshid |
| author_sort | Sehar Aslam |
| collection | DOAJ |
| description | Hepatocellular carcinoma (HCC) is a leading cause of cancer-related deaths worldwide, posing significant challenges and economic burdens on healthcare systems. Gut microbiota metabolites have shown promise in cancer treatment, but the specific active metabolites and their key targets remain unclear. This study employed a network pharmacology-based approach to identify potent metabolites of gut microbiota and their key targets. Active metabolites produced by gut microbiota were retrieved using the database gutMGene, and targets associated with these metabolites were identified using the Swiss Target Prediction tool. HCC-related targets were obtained from the GeneCards database, and overlapping targets were selected through a Venn diagram tool. An integrated metabolites–target–pathway network was analyzed to identify active inhibitors against HCC, including p-cresol glucuronide, secoisolariciresinol, glycocholic acid, enterodiol, and citric acid. Molecular docking tests were performed to validate the findings and assess the binding affinity of the metabolites with their target proteins. The study identified AKT1, EGFR, ALB, and TNF genes as potential therapeutic targets against hepatic cancer. The metabolites, p-cresol glucuronide, secoisolariciresinol, glycocholic acid, enterodiol, and citric acid, exhibited significant binding affinity with their respective target proteins. The study also revealed multiple signaling pathways and biological processes associated with the metabolites, demonstrating their preventive effect against HCC. This research utilizes a network pharmacology-based approach to identify potent metabolites of gut microbiota and their key targets for the treatment of HCC. The findings were validated through molecular docking tests, providing a foundation for future studies on anti-HCC metabolites and their mechanisms of action. Furthermore, this study offers insights into the development of novel anti-HCC drugs utilizing gut microbiota metabolites. |
| format | Article |
| id | doaj-art-96b9e012ced0463285bdba34dd905e5e |
| institution | DOAJ |
| issn | 1687-9198 |
| language | English |
| publishDate | 2024-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | International Journal of Microbiology |
| spelling | doaj-art-96b9e012ced0463285bdba34dd905e5e2025-08-20T03:19:53ZengWileyInternational Journal of Microbiology1687-91982024-01-01202410.1155/2024/4286228Potential Target Metabolites From Gut Microbiota Against Hepatocellular Carcinoma: A Network Pharmacology and Molecular Docking StudySehar Aslam0Muhammad Qasim1Fatima Noor2Muhammad Shahid3Usman Ali Ashfaq4Samman Munir5Helal F. Al-Harthi6Mutaib M. Mashraqi7Umair Waqas8Mohsin Khurshid9Department of Bioinformatics and BiotechnologyDepartment of Bioinformatics and BiotechnologyDepartment of Bioinformatics and BiotechnologyDepartment of Bioinformatics and BiotechnologyDepartment of Bioinformatics and BiotechnologyDepartment of Bioinformatics and BiotechnologyBiology DepartmentDepartment of Clinical Laboratory SciencesCollege of Science and EngineeringInstitute of MicrobiologyHepatocellular carcinoma (HCC) is a leading cause of cancer-related deaths worldwide, posing significant challenges and economic burdens on healthcare systems. Gut microbiota metabolites have shown promise in cancer treatment, but the specific active metabolites and their key targets remain unclear. This study employed a network pharmacology-based approach to identify potent metabolites of gut microbiota and their key targets. Active metabolites produced by gut microbiota were retrieved using the database gutMGene, and targets associated with these metabolites were identified using the Swiss Target Prediction tool. HCC-related targets were obtained from the GeneCards database, and overlapping targets were selected through a Venn diagram tool. An integrated metabolites–target–pathway network was analyzed to identify active inhibitors against HCC, including p-cresol glucuronide, secoisolariciresinol, glycocholic acid, enterodiol, and citric acid. Molecular docking tests were performed to validate the findings and assess the binding affinity of the metabolites with their target proteins. The study identified AKT1, EGFR, ALB, and TNF genes as potential therapeutic targets against hepatic cancer. The metabolites, p-cresol glucuronide, secoisolariciresinol, glycocholic acid, enterodiol, and citric acid, exhibited significant binding affinity with their respective target proteins. The study also revealed multiple signaling pathways and biological processes associated with the metabolites, demonstrating their preventive effect against HCC. This research utilizes a network pharmacology-based approach to identify potent metabolites of gut microbiota and their key targets for the treatment of HCC. The findings were validated through molecular docking tests, providing a foundation for future studies on anti-HCC metabolites and their mechanisms of action. Furthermore, this study offers insights into the development of novel anti-HCC drugs utilizing gut microbiota metabolites.http://dx.doi.org/10.1155/2024/4286228 |
| spellingShingle | Sehar Aslam Muhammad Qasim Fatima Noor Muhammad Shahid Usman Ali Ashfaq Samman Munir Helal F. Al-Harthi Mutaib M. Mashraqi Umair Waqas Mohsin Khurshid Potential Target Metabolites From Gut Microbiota Against Hepatocellular Carcinoma: A Network Pharmacology and Molecular Docking Study International Journal of Microbiology |
| title | Potential Target Metabolites From Gut Microbiota Against Hepatocellular Carcinoma: A Network Pharmacology and Molecular Docking Study |
| title_full | Potential Target Metabolites From Gut Microbiota Against Hepatocellular Carcinoma: A Network Pharmacology and Molecular Docking Study |
| title_fullStr | Potential Target Metabolites From Gut Microbiota Against Hepatocellular Carcinoma: A Network Pharmacology and Molecular Docking Study |
| title_full_unstemmed | Potential Target Metabolites From Gut Microbiota Against Hepatocellular Carcinoma: A Network Pharmacology and Molecular Docking Study |
| title_short | Potential Target Metabolites From Gut Microbiota Against Hepatocellular Carcinoma: A Network Pharmacology and Molecular Docking Study |
| title_sort | potential target metabolites from gut microbiota against hepatocellular carcinoma a network pharmacology and molecular docking study |
| url | http://dx.doi.org/10.1155/2024/4286228 |
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