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

doi:10.1021/acs.jmedchem.9b00283

	Colocalization Strategy Unveils an Underside Binding Site in the Transmembrane Domain of Smoothened Receptor
	Zhou, Fang1,2,5,6 ; Ding, Kang1,3,5,6 ; Zhou, Yiqing 4,9; Liu, Yang1 ; Liu, Xiaoyan1 ; Zhao, Fei1 ; Wu, Yiran1 ; Zhang, Xianjun1,5,6,8 ; Tan, Qiwen1 ; Xu, Fei1,6 ; Tan, Wenfu 7; Xiao, Youli 4,5; Zhao, Suwen1,6 ; Tao, Houchao1
	2019-11-14
发表期刊	JOURNAL OF MEDICINAL CHEMISTRY (IF:6.8[JCR-2023],7.1[5-Year])
ISSN	0022-2623
EISSN	1520-4804
卷号	62 期号:21 页码:9983-9989
发表状态	已发表
DOI	10.1021/acs.jmedchem.9b00283
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.
收录类别	SCI ; SCIE ; IC
语种	英语
资助项目	NSFC[21502206] ; NSFC[21572243]
WOS研究方向	Pharmacology & Pharmacy
WOS类目	Chemistry, Medicinal
WOS记录号	WOS:000497260700039
出版者	AMER CHEMICAL SOC
WOS关键词	ALA-D-ALA ; LIGAND-BINDING ; HEDGEHOG PATHWAY ; POTENT ; RESISTANCE ; VANCOMYCIN ; INHIBITOR ; DISCOVERY
原始文献类型	Article
引用统计	正在获取...
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/102264
专题	生命科学与技术学院_博士生 iHuman研究所_特聘教授组_Andrej Sali组 iHuman研究所_公共科研平台_动物细胞培养和蛋白纯化平台 iHuman研究所_公共科研平台_克隆平台 iHuman研究所_PI研究组_徐菲组 iHuman研究所_PI研究组_陶厚朝组 iHuman研究所_PI研究组_赵素文组
通讯作者	Xiao, Youli; Zhao, Suwen; Tao, Houchao
作者单位	1.ShanghaiTech Univ, iHuman Inst, Ren Bldg,393 Middle Huaxia Rd, Shanghai 201210, Peoples R China 2.Chinese Acad Sci, Shanghai Inst Materia Med, 555 Zuchongzhi Rd,Bldg 3,Room 426, Shanghai 201203, Peoples R China 3.Chinese Acad Sci, CAS MPG Partner Inst Computat Biol, Shanghai Inst Biol Sci, Key Lab Computat Biol, Shanghai 200031, Peoples R China 4.Chinese Acad Sci, Shanghai Inst Biol Sci, Inst Plant Physiol & Ecol, CAS Key Lab Synthet Biol, Shanghai 200032, Peoples R China 5.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China 6.ShanghaiTech Univ, Sch Life Sci & Technol, Shanghai 201210, Peoples R China 7.Fudan Univ, Sch Pharm, Dept Pharmacol, Shanghai 201203, Peoples R China 8.Chinese Acad Sci, Shanghai Inst Biol Sci, Inst Biochem & Cell Biol, Shanghai 200031, Peoples R China 9.Changshu Inst Technol, Sch Biotechnol & Food Engn, Suzhou 215500, Jiangsu, Peoples R China
第一作者单位	iHuman研究所; 生命科学与技术学院
通讯作者单位	iHuman研究所; 生命科学与技术学院
第一作者的第一单位	iHuman研究所
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.