3-Acyl-5-hydroxybenzofuran derivatives as potential anti-estrogen breast cancer agents: A combined experimental and theoretical investigation
文献类型：期刊论文
| 作者 | Li, Xiao-Yan1,2; He, Bi-Feng1; Luo, Hua-Jun1; Huang, Nian-Yu1; Deng, Wei-Qiao2 |
| 刊名 | bioorganic & medicinal chemistry letters
 |
| 出版日期 | 2013-08-15 |
| 卷号 | 23期号:16页码:4617-4621 |
| 关键词 | 3-Acyl-5-hydroxybenzofuran Breast cancer Estrogen receptor alpha (ER alpha) Quantum Mechanics Polarized Ligand Docking (QPLD) |
| ISSN号 | 0960-894x |
| 产权排序 | 待补充 |
| 通讯作者 | 邓伟侨 |
| 合作状况 | 英 |
| 英文摘要 | we first report the application of 3-acyl-5-hydroxybenzofurans as a scaffold to develop potential drugs for breast cancer. seven novel derivative compounds were synthesized by using a microwave-assisted synthesis method. those compounds exhibited different antiproliferation against human breast cancer mcf-7 cells, with the best activity of ic50=43.08 mu m for compound 1. a quantum mechanics polarized ligand docking (qpld) study was carried out to investigate the binding interactions between these compounds and estrogen receptor alpha (er alpha). the simulation results showed that the trend of receptor-ligand binding interactions was same as that of their antiproliferative activities. a detailed analysis indicated that compound 1 possesses the highest van der waals and hydrogen bond interactions compared to the other six compounds and better inhibitors are achievable by enhancing the hydrogen bond interactions. based on these results, we addressed that 3-acyl-5-hydroxybenzofuran is an attractive scaffold for designing drugs against breast cancer. (c) 2013 elsevier ltd. all rights reserved. |
| WOS标题词 | science & technology ; life sciences & biomedicine ; physical sciences |
| 学科主题 | 物理化学 |
| 类目[WOS] | chemistry, medicinal ; chemistry, organic |
| 研究领域[WOS] | pharmacology & pharmacy ; chemistry |
| 关键词[WOS] | estrogen-receptor ; accurate docking ; tamoxifen ; binding ; glide ; complexes ; cells ; cyp19 |
| 收录类别 | SCI ; IC |
| 资助信息 | 2，1 |
| 原文出处 | 4621 |
| 语种 | 英语 |
| WOS记录号 | WOS:000322611900024 |
| 公开日期 | 2014-09-11 |
| 源URL | [http://159.226.238.44/handle/321008/119193]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.China Three Gorges Univ, Coll Chem & Life Sci, Hubei Key Lab Nat Prod Res & Dev, Yichang 443002, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian Natl Lab Clean Energy, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li, Xiao-Yan,He, Bi-Feng,Luo, Hua-Jun,et al. 3-Acyl-5-hydroxybenzofuran derivatives as potential anti-estrogen breast cancer agents: A combined experimental and theoretical investigation[J]. bioorganic & medicinal chemistry letters,2013,23(16):4617-4621. |
| APA | Li, Xiao-Yan,He, Bi-Feng,Luo, Hua-Jun,Huang, Nian-Yu,&Deng, Wei-Qiao.(2013).3-Acyl-5-hydroxybenzofuran derivatives as potential anti-estrogen breast cancer agents: A combined experimental and theoretical investigation.bioorganic & medicinal chemistry letters,23(16),4617-4621. |
| MLA | Li, Xiao-Yan,et al."3-Acyl-5-hydroxybenzofuran derivatives as potential anti-estrogen breast cancer agents: A combined experimental and theoretical investigation".bioorganic & medicinal chemistry letters 23.16(2013):4617-4621. |
入库方式： OAI收割
来源：大连化学物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。