A structurally guided dissection-then-evolution strategy for ligand optimization of smoothened receptor

doi:10.1039/c7md00104e

	A structurally guided dissection-then-evolution strategy for ligand optimization of smoothened receptor
	Ye, Lintao1,2,5,6 ; Ding, Kang1,3,5,6 ; Zhao, Fei1 ; Liu, Xiaoyan1 ; Wu, Yiran1 ; Liu, Yang1 ; Xue, Dongxiang1,2,5,6 ; Zhou, Fang1,2,5,6 ; Zhang, Xianjun1,4,5,6 ; Stevens, Raymond C.1,6 ; Xu, Fei1,6 ; Zhao, Suwen1,6 ; Tao, Houchao1
	2017-06
发表期刊	MEDCHEMCOMM
ISSN	2040-2503
卷号	8 期号:6 页码:1332-1336
发表状态	已发表
DOI	10.1039/c7md00104e
摘要	We present herein a novel dissection-then-evolution strategy for ligand optimization. Using the co-crystal structure of the smoothened receptor (SMO) as a guide, we studied the modular contribution of LY2940680 by systematically "silencing" the specific interaction between the individual residue(s) and the fragment in the ligand. Following evolution by focusing on the benzoyl part finally yielded an improved ligand 21.
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收录类别	SCI ; IC
语种	英语
资助项目	Shanghai PuJiang Talent Program[16PJ1407300]
WOS研究方向	Biochemistry & Molecular Biology ; Pharmacology & Pharmacy
WOS类目	Biochemistry & Molecular Biology ; Chemistry, Medicinal
WOS记录号	WOS:000404076200022
出版者	ROYAL SOC CHEMISTRY
WOS关键词	BASAL-CELL CARCINOMA ; CANCER ; DISCOVERY ; DRUG ; ANTAGONISTS ; MODULATION ; RESISTANCE ; VISMODEGIB ; STABILITY ; BINDING
原始文献类型	Article
通讯作者	Zhao, Suwen ; Tao, Houchao
引用统计
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/2924
专题	iHuman研究所_公共科研平台_IT平台生命科学与技术学院 iHuman研究所 iHuman研究所_特聘教授组_Andrej Sali组 iHuman研究所_特聘教授组_Raymond Stevens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_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_赵素文组生命科学与技术学院_硕士生生命科学与技术学院_博士生
通讯作者	Zhao, Suwen; Tao, Houchao
作者单位	1.ShanghaiTech Univ, iHuman Inst, 2F Bldg 6,99 Haike Rd, Shanghai 201210, Peoples R China 2.Chinese Acad Sci, Shanghai Inst Mat Med, 555 Zuchongzhi Rd,Bldg 3,Room 426, Shanghai 201203, Peoples R China 3.Chinese Acad Sci, Shanghai Inst Biol Sci, CAS MPG Partner Inst Computat Biol, Key Lab Computat Biol, Shanghai 200031, Peoples R China 4.Chinese Acad Sci, Shanghai Inst Biol Sci, Inst Biochem & Cell Biol, Shanghai 200031, 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
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	Ye, Lintao,Ding, Kang,Zhao, Fei,et al. A structurally guided dissection-then-evolution strategy for ligand optimization of smoothened receptor[J]. MEDCHEMCOMM,2017,8(6):1332-1336.
APA	Ye, Lintao.,Ding, Kang.,Zhao, Fei.,Liu, Xiaoyan.,Wu, Yiran.,...&Tao, Houchao.(2017).A structurally guided dissection-then-evolution strategy for ligand optimization of smoothened receptor.MEDCHEMCOMM,8(6),1332-1336.
MLA	Ye, Lintao,et al."A structurally guided dissection-then-evolution strategy for ligand optimization of smoothened receptor".MEDCHEMCOMM 8.6(2017):1332-1336.