Identification of novel monoamine oxidase selective inhibitors employing a hierarchical ligand-based virtual screening strategy
Wang, Dong1,2; Li, Zhaoyang2; Liu, Yi2; Chen, Mo2; Chen, Nianhang2; Zuo, Zhili3; Kong, De-Xin1,2
通讯作者Kong, De-Xin(dxkong@mail.hzau.edu.cn)
2019-04-01
发表期刊FUTURE MEDICINAL CHEMISTRY
ISSN1756-8919
卷号11期号:8页码:801-816
摘要Aim: Due to the pivotal role in the oxidative deamination of monoamine neurotransmitters, two distinct monoamine oxidase (MAO) subtypes, MAO-A and MAO-B, present a significant pharmacological interest. Here, we reported a hierarchical and time-efficient ligand-based virtual screening strategy to identify potent selective and reversible MAO inhibitors. Result: A total of 130 compounds were assessed in dose-response biochemical assay against MAOs. Among them, 70 compounds were active with inhibition higher than 70%, involving 25 compounds with IC50 values less than 1 mu M. Conclusion: Our research demonstrated the validity of Biologically Relevant Spectrum (BRS-3D) in predicting subtype-selective ligands and afforded a novel highly efficient way to develop selective inhibitors in the early stage of drug discovery.
关键词BRS-3D monoamine oxidase selective inhibitors virtual screening
DOI10.4155/fmc-2018-0596
收录类别SCI
语种英语
WOS记录号WOS:000476571100003
引用统计
文献类型期刊论文
条目标识符http://ir.kib.ac.cn/handle/151853/68212
专题植物化学与西部植物资源持续利用国家重点实验室
通讯作者Kong, De-Xin
作者单位1.Huazhong Agr Univ, State Key Lab Agr Microbiol, Wuhan 430070, Hubei, Peoples R China
2.Huazhong Agr Univ, Coll Informat, Agr Bioinformat Key Lab Hubei Prov, Wuhan 430070, Hubei, Peoples R China
3.Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resources West Ch, Kunming 650201, Yunnan, Peoples R China
推荐引用方式
GB/T 7714
Wang, Dong,Li, Zhaoyang,Liu, Yi,et al. Identification of novel monoamine oxidase selective inhibitors employing a hierarchical ligand-based virtual screening strategy[J]. FUTURE MEDICINAL CHEMISTRY,2019,11(8):801-816.
APA Wang, Dong.,Li, Zhaoyang.,Liu, Yi.,Chen, Mo.,Chen, Nianhang.,...&Kong, De-Xin.(2019).Identification of novel monoamine oxidase selective inhibitors employing a hierarchical ligand-based virtual screening strategy.FUTURE MEDICINAL CHEMISTRY,11(8),801-816.
MLA Wang, Dong,et al."Identification of novel monoamine oxidase selective inhibitors employing a hierarchical ligand-based virtual screening strategy".FUTURE MEDICINAL CHEMISTRY 11.8(2019):801-816.
条目包含的文件 下载所有文件
文件名称/大小 文献类型 版本类型 开放类型 使用许可
wang2019 (4).pdf(1462KB)期刊论文出版稿开放获取CC BY-NC-SA浏览 下载
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Wang, Dong]的文章
[Li, Zhaoyang]的文章
[Liu, Yi]的文章
百度学术
百度学术中相似的文章
[Wang, Dong]的文章
[Li, Zhaoyang]的文章
[Liu, Yi]的文章
必应学术
必应学术中相似的文章
[Wang, Dong]的文章
[Li, Zhaoyang]的文章
[Liu, Yi]的文章
相关权益政策
暂无数据
收藏/分享
文件名: wang2019 (4).pdf
格式: Adobe PDF
所有评论 (0)
暂无评论
 

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。