Using CADD tools to inhibit the overexpressed genes FAP, FN1, and MMP1 by repurposing ginsenoside C and Rg1 as a treatment for oral cancer
Oral cancer is one of the most common cancer types. Many factors can express certain genes that cause the proliferation of oral tissues. Overexpressed genes were detected in oral cancer patients; three were highly impacted. FAP, FN1, and MMP1 were the targeted genes that showed inhibition results in...
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| Format: | Article |
| Language: | English |
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Frontiers Media S.A.
2023-10-01
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| Series: | Frontiers in Molecular Biosciences |
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fmolb.2023.1248885/full |
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| author | Manal Abouelwafa Tamer M. Ibrahim Tamer M. Ibrahim Mohamed S. El-Hadidi Mater H. Mahnashi Amani Y. Owaidah Nizar H. Saeedi Hany G. Attia John J. Georrge Amany Mostafa |
| author_facet | Manal Abouelwafa Tamer M. Ibrahim Tamer M. Ibrahim Mohamed S. El-Hadidi Mater H. Mahnashi Amani Y. Owaidah Nizar H. Saeedi Hany G. Attia John J. Georrge Amany Mostafa |
| author_sort | Manal Abouelwafa |
| collection | DOAJ |
| description | Oral cancer is one of the most common cancer types. Many factors can express certain genes that cause the proliferation of oral tissues. Overexpressed genes were detected in oral cancer patients; three were highly impacted. FAP, FN1, and MMP1 were the targeted genes that showed inhibition results in silico by ginsenoside C and Rg1. Approved drugs were retrieved from the DrugBank database. The docking scores show an excellent interaction between the ligands and the targeted macromolecules. Further molecular dynamics simulations showed the binding stability of the proposed natural products. This work recommends repurposing ginsenoside C and Rg1 as potential binders for the selected targets and endorses future experimental validation for the treatment of oral cancer. |
| first_indexed | 2024-03-11T16:38:39Z |
| format | Article |
| id | doaj.art-e06ce2abad324f5f9eeda80cd0778738 |
| institution | Directory Open Access Journal |
| issn | 2296-889X |
| language | English |
| last_indexed | 2024-03-11T16:38:39Z |
| publishDate | 2023-10-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Molecular Biosciences |
| spelling | doaj.art-e06ce2abad324f5f9eeda80cd07787382023-10-23T11:55:50ZengFrontiers Media S.A.Frontiers in Molecular Biosciences2296-889X2023-10-011010.3389/fmolb.2023.12488851248885Using CADD tools to inhibit the overexpressed genes FAP, FN1, and MMP1 by repurposing ginsenoside C and Rg1 as a treatment for oral cancerManal Abouelwafa0Tamer M. Ibrahim1Tamer M. Ibrahim2Mohamed S. El-Hadidi3Mater H. Mahnashi4Amani Y. Owaidah5Nizar H. Saeedi6Hany G. Attia7John J. Georrge8Amany Mostafa9Department of Bioinformatics, Christ College, Rajkot, Gujarat, IndiaDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh, EgyptBioinformatics Group, Center for Informatics Sciences, School of Information Technology and Computer Science, Nile University, Giza, EgyptBioinformatics Group, Center for Informatics Sciences, School of Information Technology and Computer Science, Nile University, Giza, EgyptDepartment of Pharmaceutical Chemistry, College of Pharmacy, Najran University, Najran, Saudi ArabiaDepartment of Clinical Laboratory Sciences, College of Applied Medical Sciences, Imam Abdulrahman bin Faisal University, Dammam, Saudi ArabiaDepartment of Medical Laboratory Technology, Faculty of Applied Medical Sciences, University of Tabuk, Tabuk, Saudi ArabiaDepartment of Pharmacognosy, College of Pharmacy, Najran University, Najran, Saudi ArabiaDepartment of Bioinformatics, University of North Bengal, West Bengal, IndiaNanomedicine and Tissue Engineering Laboratory, Medical Research Centre of Excellence, National Research Centre (NRC), Cairo, EgyptOral cancer is one of the most common cancer types. Many factors can express certain genes that cause the proliferation of oral tissues. Overexpressed genes were detected in oral cancer patients; three were highly impacted. FAP, FN1, and MMP1 were the targeted genes that showed inhibition results in silico by ginsenoside C and Rg1. Approved drugs were retrieved from the DrugBank database. The docking scores show an excellent interaction between the ligands and the targeted macromolecules. Further molecular dynamics simulations showed the binding stability of the proposed natural products. This work recommends repurposing ginsenoside C and Rg1 as potential binders for the selected targets and endorses future experimental validation for the treatment of oral cancer.https://www.frontiersin.org/articles/10.3389/fmolb.2023.1248885/fullFAPFN1MMP1ginsenoside C and Rg1molecular dockingsimulation |
| spellingShingle | Manal Abouelwafa Tamer M. Ibrahim Tamer M. Ibrahim Mohamed S. El-Hadidi Mater H. Mahnashi Amani Y. Owaidah Nizar H. Saeedi Hany G. Attia John J. Georrge Amany Mostafa Using CADD tools to inhibit the overexpressed genes FAP, FN1, and MMP1 by repurposing ginsenoside C and Rg1 as a treatment for oral cancer Frontiers in Molecular Biosciences FAP FN1 MMP1 ginsenoside C and Rg1 molecular docking simulation |
| title | Using CADD tools to inhibit the overexpressed genes FAP, FN1, and MMP1 by repurposing ginsenoside C and Rg1 as a treatment for oral cancer |
| title_full | Using CADD tools to inhibit the overexpressed genes FAP, FN1, and MMP1 by repurposing ginsenoside C and Rg1 as a treatment for oral cancer |
| title_fullStr | Using CADD tools to inhibit the overexpressed genes FAP, FN1, and MMP1 by repurposing ginsenoside C and Rg1 as a treatment for oral cancer |
| title_full_unstemmed | Using CADD tools to inhibit the overexpressed genes FAP, FN1, and MMP1 by repurposing ginsenoside C and Rg1 as a treatment for oral cancer |
| title_short | Using CADD tools to inhibit the overexpressed genes FAP, FN1, and MMP1 by repurposing ginsenoside C and Rg1 as a treatment for oral cancer |
| title_sort | using cadd tools to inhibit the overexpressed genes fap fn1 and mmp1 by repurposing ginsenoside c and rg1 as a treatment for oral cancer |
| topic | FAP FN1 MMP1 ginsenoside C and Rg1 molecular docking simulation |
| url | https://www.frontiersin.org/articles/10.3389/fmolb.2023.1248885/full |
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