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Colocalization Strategy Unveils an Underside Binding Site in the Transmembrane Domain of Smoothened Receptor

文献类型：期刊论文

作者Zhou, Fang5,6,7,8; Ding, Kang1,5,6,7; Zhou, Yiqing2,9; Liu, Yang7; Liu, Xiaoyan7; Zhao, Fei7; Wu, Yiran7; Zhang, Xianjun3,5,6,7; Tan, Qiwen7; Xu, Fei5,7
刊名JOURNAL OF MEDICINAL CHEMISTRY
出版日期2019-11-14
卷号62期号:21页码:9983-9989
ISSN号0022-2623
DOI10.1021/acs.jmedchem.9b00283
通讯作者Xiao, Youli(ybriao@sibs.ac.cn) ; Zhao, Suwen(zhaosw@shanghaitech.edu.cn) ; Tao, Houchao(taohch@shanghaitech.edu.cn)
英文摘要We unveiled an underside binding site on smoothened receptor (SMO) by a colocalization strategy using two structurally complementary photoaffinity probes derived from a known ligand Allo-1. Docking study and structural dissection identified key interactions within the site, including hydrogen bonding, pi-pi interactions, and hydrophobic interactions between Allo-1 and its contacting residues. Taken together, our results reveal the molecular base of Allo-1 binding and provide a basis for the design of new-generation ligands to overcome drug resistance.
WOS关键词ALA-D-ALA ; LIGAND-BINDING ; HEDGEHOG PATHWAY ; POTENT ; RESISTANCE ; VANCOMYCIN ; INHIBITOR ; DISCOVERY
资助项目Shanghai Municipal Government, ShanghaiTech University ; National Key R&D Program of China[2018YFA0507000] ; NSFC[21502206] ; NSFC[21572243]
WOS研究方向Pharmacology & Pharmacy
语种英语
WOS记录号WOS:000497260700039
出版者AMER CHEMICAL SOC
源URL[http://119.78.100.183/handle/2S10ELR8/282109]  
专题中国科学院上海药物研究所
通讯作者Xiao, Youli; Zhao, Suwen; Tao, Houchao
作者单位1.Chinese Acad Sci, CAS MPG Partner Inst Computat Biol, Shanghai Inst Biol Sci, Key Lab Computat Biol, Shanghai 200031, Peoples R China
2.Changshu Inst Technol, Sch Biotechnol & Food Engn, Suzhou 215500, Jiangsu, Peoples R China
3.Chinese Acad Sci, Shanghai Inst Biol Sci, Inst Biochem & Cell Biol, Shanghai 200031, Peoples R China
4.Fudan Univ, Sch Pharm, Dept Pharmacol, Shanghai 201203, Peoples R China
5.ShanghaiTech Univ, Sch Life Sci & Technol, Shanghai 201210, Peoples R China
6.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China
7.ShanghaiTech Univ, iHuman Inst, Ren Bldg,393 Middle Huaxia Rd, Shanghai 201210, Peoples R China
8.Chinese Acad Sci, Shanghai Inst Materia Med, 555 Zuchongzhi Rd,Bldg 3,Room 426, Shanghai 201203, Peoples R China
9.Chinese Acad Sci, Shanghai Inst Biol Sci, Inst Plant Physiol & Ecol, CAS Key Lab Synthet Biol, Shanghai 200032, Peoples R China
推荐引用方式
GB/T 7714		 Zhou, Fang,Ding, Kang,Zhou, Yiqing,et al. Colocalization Strategy Unveils an Underside Binding Site in the Transmembrane Domain of Smoothened Receptor[J]. JOURNAL OF MEDICINAL CHEMISTRY,2019,62(21):9983-9989.
APA Zhou, Fang.,Ding, Kang.,Zhou, Yiqing.,Liu, Yang.,Liu, Xiaoyan.,...&Tao, Houchao.(2019).Colocalization Strategy Unveils an Underside Binding Site in the Transmembrane Domain of Smoothened Receptor.JOURNAL OF MEDICINAL CHEMISTRY,62(21),9983-9989.
MLA Zhou, Fang,et al."Colocalization Strategy Unveils an Underside Binding Site in the Transmembrane Domain of Smoothened Receptor".JOURNAL OF MEDICINAL CHEMISTRY 62.21(2019):9983-9989.

入库方式： OAI收割

来源：上海药物研究所

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