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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Autores principales: Abouelwafa, Manal, Ibrahim, Tamer M., El-Hadidi, Mohamed S., Mahnashi, Mater H., Owaidah, Amani Y., Saeedi, Nizar H., Attia, Hany G., Georrge, John J., Mostafa, Amany
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2023
Materias:
Molecular Biosciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10627001/
https://www.ncbi.nlm.nih.gov/pubmed/37936719
http://dx.doi.org/10.3389/fmolb.2023.1248885
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author Abouelwafa, Manal
Ibrahim, Tamer M.
El-Hadidi, Mohamed S.
Mahnashi, Mater H.
Owaidah, Amani Y.
Saeedi, Nizar H.
Attia, Hany G.
Georrge, John J.
Mostafa, Amany
author_facet Abouelwafa, Manal
Ibrahim, Tamer M.
El-Hadidi, Mohamed S.
Mahnashi, Mater H.
Owaidah, Amani Y.
Saeedi, Nizar H.
Attia, Hany G.
Georrge, John J.
Mostafa, Amany
author_sort Abouelwafa, Manal
collection PubMed
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.
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spelling pubmed-106270012023-11-07 Using CADD tools to inhibit the overexpressed genes FAP, FN1, and MMP1 by repurposing ginsenoside C and Rg1 as a treatment for oral cancer Abouelwafa, Manal Ibrahim, Tamer M. El-Hadidi, Mohamed S. Mahnashi, Mater H. Owaidah, Amani Y. Saeedi, Nizar H. Attia, Hany G. Georrge, John J. Mostafa, Amany Front Mol Biosci Molecular Biosciences 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. Frontiers Media S.A. 2023-10-23 /pmc/articles/PMC10627001/ /pubmed/37936719 http://dx.doi.org/10.3389/fmolb.2023.1248885 Text en Copyright © 2023 Abouelwafa, Ibrahim, El-Hadidi, Mahnashi, Owaidah, Saeedi, Attia, Georrge and Mostafa. https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
spellingShingle Molecular Biosciences
Abouelwafa, Manal
Ibrahim, Tamer M.
El-Hadidi, Mohamed S.
Mahnashi, Mater H.
Owaidah, Amani Y.
Saeedi, Nizar H.
Attia, Hany G.
Georrge, John J.
Mostafa, Amany
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 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 Molecular Biosciences
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10627001/
https://www.ncbi.nlm.nih.gov/pubmed/37936719
http://dx.doi.org/10.3389/fmolb.2023.1248885
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