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
Source PublicationMEDCHEMCOMM
ISSN2040-2503
Volume8Issue:6Pages:1332-1336
Status已发表
DOI10.1039/c7md00104e
AbstractWe 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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Indexed BySCI ; IC
Language英语
Funding ProjectShanghai PuJiang Talent Program[16PJ1407300]
WOS Research AreaBiochemistry & Molecular Biology ; Pharmacology & Pharmacy
WOS SubjectBiochemistry & Molecular Biology ; Chemistry, Medicinal
WOS IDWOS:000404076200022
PublisherROYAL SOC CHEMISTRY
WOS KeywordBASAL-CELL CARCINOMA ; CANCER ; DISCOVERY ; DRUG ; ANTAGONISTS ; MODULATION ; RESISTANCE ; VISMODEGIB ; STABILITY ; BINDING
Original Document TypeArticle
Corresponding AuthorZhao, Suwen ; Tao, Houchao
Citation statistics
Cited Times:6[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttps://kms.shanghaitech.edu.cn/handle/2MSLDSTB/2924
CollectioniHuman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
Corresponding AuthorZhao, Suwen; Tao, Houchao
Affiliation1.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
First Author AffilicationiHuman Institute;  School of Life Science and Technology
Corresponding Author AffilicationiHuman Institute;  School of Life Science and Technology
First Signature AffilicationiHuman Institute
Recommended Citation
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.
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