筛选天然萜类化合物以确定治疗乳腺癌的潜在Jab1抑制剂

P. Pandey, Fahad Khan, K. Yadav, Kartikey Singh, Akhlakur Rehman, A. Mazumder, M. Khan
{"title":"筛选天然萜类化合物以确定治疗乳腺癌的潜在Jab1抑制剂","authors":"P. Pandey, Fahad Khan, K. Yadav, Kartikey Singh, Akhlakur Rehman, A. Mazumder, M. Khan","doi":"10.24294/ti.v7.i1.2055","DOIUrl":null,"url":null,"abstract":"Jab1 (c-Jun activation domain-binding protein-1) overexpression has been extensively linked to cancer development (or metastasis) in various malignancies by positively regulating cancer cell proliferation or inactivating several tumor suppressors. Recent research has focused on utilizing plant products to target crucial elements of dysregulated signaling pathways to elucidate a potent cancer therapeutic approach. Terpenoids have shown significant anti-inflammatory and anti-cancerous properties in a broader range of carcinomas by inducing apoptosis. Through an extensive literature search, we have selected only those terpenoids (from the NPACT database) that have not been explored against Jab1 (CSN5, COP9 signalosome subunit 5) in breast cancer for our research study. We have used two docking servers, PATCH DOCK, and CB DOCK, to find the binding interaction between selected terpenoids and Jab1. Further, we have also used SWISS ADME to investigate the pharmacokinetics of selected ligands. Amongst all selected ligands, lutein (belongs to the xanthophylls class) has displayed maximum binding energy in both CB Dock and Patch Dock analysis. Hence, our preliminary in silico results have shown lutein as the potent lead candidate for developing a better drug against breast cancer. However, more in silico and in vitro studies are still needed to validate the inhibitory potential of lutein terpenoid against Jab1 in breast cancer.","PeriodicalId":401129,"journal":{"name":"Trends in Immunotherapy","volume":"3 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2023-06-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Screen natural terpenoids to identify potential Jab1 inhibitors for treating breast cancer\",\"authors\":\"P. Pandey, Fahad Khan, K. Yadav, Kartikey Singh, Akhlakur Rehman, A. Mazumder, M. Khan\",\"doi\":\"10.24294/ti.v7.i1.2055\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Jab1 (c-Jun activation domain-binding protein-1) overexpression has been extensively linked to cancer development (or metastasis) in various malignancies by positively regulating cancer cell proliferation or inactivating several tumor suppressors. Recent research has focused on utilizing plant products to target crucial elements of dysregulated signaling pathways to elucidate a potent cancer therapeutic approach. Terpenoids have shown significant anti-inflammatory and anti-cancerous properties in a broader range of carcinomas by inducing apoptosis. Through an extensive literature search, we have selected only those terpenoids (from the NPACT database) that have not been explored against Jab1 (CSN5, COP9 signalosome subunit 5) in breast cancer for our research study. We have used two docking servers, PATCH DOCK, and CB DOCK, to find the binding interaction between selected terpenoids and Jab1. Further, we have also used SWISS ADME to investigate the pharmacokinetics of selected ligands. Amongst all selected ligands, lutein (belongs to the xanthophylls class) has displayed maximum binding energy in both CB Dock and Patch Dock analysis. Hence, our preliminary in silico results have shown lutein as the potent lead candidate for developing a better drug against breast cancer. However, more in silico and in vitro studies are still needed to validate the inhibitory potential of lutein terpenoid against Jab1 in breast cancer.\",\"PeriodicalId\":401129,\"journal\":{\"name\":\"Trends in Immunotherapy\",\"volume\":\"3 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-06-29\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Trends in Immunotherapy\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.24294/ti.v7.i1.2055\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Trends in Immunotherapy","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.24294/ti.v7.i1.2055","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 1

摘要

Jab1 (c-Jun活化结构域结合蛋白-1)过表达通过正向调节癌细胞增殖或使几种肿瘤抑制因子失活,与各种恶性肿瘤的发生(或转移)广泛相关。最近的研究集中在利用植物产品来靶向失调信号通路的关键要素,以阐明一种有效的癌症治疗方法。萜类化合物通过诱导细胞凋亡在更广泛的肿瘤中显示出显著的抗炎和抗癌特性。通过广泛的文献检索,我们只选择了那些(从NPACT数据库中)尚未研究过乳腺癌中Jab1 (CSN5, COP9信号体亚基5)的萜类化合物作为我们的研究对象。我们使用了两个对接服务器PATCH DOCK和CB DOCK来寻找所选萜类化合物与Jab1之间的结合相互作用。此外,我们还使用SWISS ADME来研究选定配体的药代动力学。在所有选择的配体中,叶黄素(属于叶黄素类)在CB Dock和Patch Dock分析中都显示出最大的结合能。因此,我们的初步硅结果表明叶黄素是开发一种更好的抗乳腺癌药物的强有力的主要候选者。然而,在乳腺癌中,叶黄素萜类化合物对Jab1的抑制潜力还需要更多的计算机和体外研究来验证。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Screen natural terpenoids to identify potential Jab1 inhibitors for treating breast cancer
Jab1 (c-Jun activation domain-binding protein-1) overexpression has been extensively linked to cancer development (or metastasis) in various malignancies by positively regulating cancer cell proliferation or inactivating several tumor suppressors. Recent research has focused on utilizing plant products to target crucial elements of dysregulated signaling pathways to elucidate a potent cancer therapeutic approach. Terpenoids have shown significant anti-inflammatory and anti-cancerous properties in a broader range of carcinomas by inducing apoptosis. Through an extensive literature search, we have selected only those terpenoids (from the NPACT database) that have not been explored against Jab1 (CSN5, COP9 signalosome subunit 5) in breast cancer for our research study. We have used two docking servers, PATCH DOCK, and CB DOCK, to find the binding interaction between selected terpenoids and Jab1. Further, we have also used SWISS ADME to investigate the pharmacokinetics of selected ligands. Amongst all selected ligands, lutein (belongs to the xanthophylls class) has displayed maximum binding energy in both CB Dock and Patch Dock analysis. Hence, our preliminary in silico results have shown lutein as the potent lead candidate for developing a better drug against breast cancer. However, more in silico and in vitro studies are still needed to validate the inhibitory potential of lutein terpenoid against Jab1 in breast cancer.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
CiteScore
0.80
自引率
0.00%
发文量
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信