使用 CADD 工具通过重新利用人参皂苷 C 和 Rg1 作为口腔癌的治疗方法来抑制过表达的基因 FAP、FN1 和 MMP1。
Using CADD tools to inhibit the overexpressed genes FAP, FN1, and MMP1 by repurposing ginsenoside C and Rg1 as a treatment for oral cancer.
发表日期：2023
作者：
Manal Abouelwafa, Tamer M Ibrahim, Mohamed S El-Hadidi, Mater H Mahnashi, Amani Y Owaidah, Nizar H Saeedi, Hany G Attia, John J Georrge, Amany Mostafa
来源：
Frontiers in Molecular Biosciences
摘要：
口腔癌是最常见的癌症类型之一。许多因素可以表达某些导致口腔组织增殖的基因。在口腔癌患者中检测到过度表达的基因；其中三人受到严重影响。 FAP、FN1 和 MMP1 是靶基因，在计算机模拟中显示出人参皂苷 C 和 Rg1 的抑制结果。批准的药物是从 DrugBank 数据库中检索的。对接分数显示配体和目标大分子之间具有良好的相互作用。进一步的分子动力学模拟显示了所提出的天然产物的结合稳定性。这项工作建议重新利用人参皂苷 C 和 Rg1 作为选定靶标的潜在结合剂，并支持未来治疗口腔癌的实验验证。版权所有 © 2023 Abouelwafa、Ibrahim、El-Hadidi、Mahnashi、Owaidah、Saeedi、Attia、George 和 Mostafa。
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.Copyright © 2023 Abouelwafa, Ibrahim, El-Hadidi, Mahnashi, Owaidah, Saeedi, Attia, Georrge and Mostafa.