A structurally guided dissection-then-evolution strategy for ligand optimization of smoothened receptor
文献类型：期刊论文
| 作者 | Ye, Lintao1,2,3,4; Ding, Kang1,2,3,5; Zhao, Fei3; Liu, Xiaoyan3; Wu, Yiran3; Liu, Yang3; Xue, Dongxiang1,2,3,4; Zhou, Fang1,2,3,4; Zhang, Xianjun1,2,3,6; Stevens, Raymond C.2,3 |
| 刊名 | MEDCHEMCOMM
 |
| 出版日期 | 2017-06-01 |
| 卷号 | 8期号:6页码:1332-1336 |
| ISSN号 | 2040-2503 |
| DOI | 10.1039/c7md00104e |
| 文献子类 | Article |
| 英文摘要 | 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. |
| WOS关键词 | BASAL-CELL CARCINOMA ; CANCER ; DISCOVERY ; DRUG ; ANTAGONISTS ; MODULATION ; RESISTANCE ; VISMODEGIB ; STABILITY ; BINDING |
| 资助项目 | Shanghai Municipal Government, ShanghaiTech University[00000000] ; Shanghai PuJiang Talent Program[16PJ1407300] |
| WOS研究方向 | Biochemistry & Molecular Biology ; Pharmacology & Pharmacy |
| 语种 | 英语 |
| WOS记录号 | WOS:000404076200022 |
| 出版者 | ROYAL SOC CHEMISTRY |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/272639]  |
| 专题 | 中国科学院上海药物研究所 |
| 通讯作者 | Zhao, Suwen; Tao, Houchao |
| 作者单位 | 1.Univ Chinese Acad Sci, 19A,Yuquan Rd, Beijing 100049, Peoples R China; 2.ShanghaiTech Univ, Sch Life Sci & Technol, Shanghai 201210, Peoples R China 3.ShanghaiTech Univ, iHuman Inst, 2F Bldg 6,99 Haike Rd, Shanghai 201210, Peoples R China; 4.Chinese Acad Sci, Shanghai Inst Mat Med, 555 Zuchongzhi Rd,Bldg 3,Room 426, Shanghai 201203, Peoples R China; 5.Chinese Acad Sci, Shanghai Inst Biol Sci, CAS MPG Partner Inst Computat Biol, Key Lab Computat Biol, Shanghai 200031, Peoples R China; 6.Chinese Acad Sci, Shanghai Inst Biol Sci, Inst Biochem & Cell Biol, Shanghai 200031, Peoples R China; |
| 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. |
入库方式： OAI收割
来源：上海药物研究所
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