Mağallaẗ al-qādisiyyaaẗ li-l-ʻulūm al-ṣirfaẗ最新文献

筛选
英文 中文
The Identification of certain chemical disruptors of the estrogen receptor α: Structural and docking analyses 雌激素受体α的某些化学干扰物的鉴定:结构和对接分析
Mağallaẗ al-qādisiyyaaẗ li-l-ʻulūm al-ṣirfaẗ Pub Date : 2023-02-14 DOI: 10.29350/qjps.2022.27.1.1602
Noora Alyasari
{"title":"The Identification of certain chemical disruptors of the estrogen receptor α: Structural and docking analyses","authors":"Noora Alyasari","doi":"10.29350/qjps.2022.27.1.1602","DOIUrl":"https://doi.org/10.29350/qjps.2022.27.1.1602","url":null,"abstract":"Due to the active role of estrogen receptor α (ERα) in certain breast cancer, finding possible ERα antagonists is important for lowering the growth rate of ERα-motivated breast cancer cells. Here, the current work was conducted to computationally find ERα inhibitors based on the use of certain docking methods. The three-dimensional (3D)-ERα structure was freely docked with the 3D structure of certain ligands, including milbemycin_A3_5-oxime (MA), Baloxavir marboxil (BM), tadalafil (TF), sesamol (SM), raspberry ketone (RK), guaiacol (GuC), proanthocyanidins (PAC), epicatechin (EC), and catechin (CC). The results of the protein-ligand based binding affinity values (kcal/mol) revealed the following; MA= -9.7, TF= -8.5, BM= -8.2, PAC= -8.1, CC= -7.5, EC= -7.2, RK= -6.1, SM= -5.7, and GuC= -4.8. According to the above-mentioned data, milbemycin_A3_5-oxime, tadalafil, Baloxavir marboxil, and proanthocyanidins show the highest binding affinity, which can further be studied in vitro and in vivo for their proposed activity. In addition, catechin, epicatechin, raspberry ketone, sesamol, and guaiacol can also further be investigated for their anti-ERα activity, in which some structural modification to the ligand molecules can be performed to increase their binding action, if they show low ERα-based blocking via in vitro and in vivo research.","PeriodicalId":487068,"journal":{"name":"Mağallaẗ al-qādisiyyaaẗ li-l-ʻulūm al-ṣirfaẗ","volume":"60 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135796820","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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×
相关产品
×
本文献相关产品
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