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, Fang3,4,7,8; Ding, Kang3,7,8; Liu, Yang3; Liu, Xiaoyan3; Zhao, Fei3; Wu, Yiran3; Zhang, Xianjun3,7,8; Tan, Qiwen3; Xu, Fei3,8; Zhao, Suwen3,8 |
| 刊名 | JOURNAL OF MEDICINAL CHEMISTRY
 |
| 出版日期 | 2019 |
| 卷号 | 62期号:21页码:9983-9989 |
| 关键词 | Monte Carlo feature selection breast cancer random forest patient-derived tumor xenograft |
| ISSN号 | 0022-2623 |
| DOI | 10.1021/acs.jmedchem.9b00283 |
| 文献子类 | Article |
| 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. |
| 学科主题 | Genetics & Heredity |
| WOS关键词 | ALA-D-ALA ; LIGAND-BINDING ; HEDGEHOG PATHWAY ; POTENT ; RESISTANCE ; VANCOMYCIN ; INHIBITOR ; DISCOVERY |
| 语种 | 英语 |
| CSCD记录号 | CSCD:31408335 |
| WOS记录号 | WOS:000497260700039 |
| 出版者 | AMER CHEMICAL SOC |
| 版本 | 出版稿 |
| 源URL | [http://202.127.25.144/handle/331004/676]  |
| 专题 | 中国科学院上海生命科学研究院营养科学研究所 |
| 作者单位 | 1.Fudan Univ, Sch Pharm, Dept Pharmacol, Shanghai 201203, Peoples R China; 2.Changshu Inst Technol, Sch Biotechnol & Food Engn, Suzhou 215500, Jiangsu, Peoples R China, 3.ShanghaiTech Univ, iHuman Inst, Ren Bldg,393 Middle Huaxia Rd, Shanghai 201210, Peoples R China; 4.Chinese Acad Sci, Shanghai Inst Materia Med, 555 Zuchongzhi Rd,Bldg 3,Room 426, Shanghai 201203, Peoples R China; 5.Chinese Acad Sci, CAS MPG Partner Inst Computat Biol, Shanghai Inst Biol Sci, Key Lab Computat Biol, Shanghai 200031, Peoples R China; 6.Chinese Acad Sci, Shanghai Inst Biol Sci, Inst Plant Physiol & Ecol, CAS Key Lab Synthet Biol, Shanghai 200032, Peoples R China; 7.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China; 8.ShanghaiTech Univ, Sch Life Sci & Technol, Shanghai 201210, Peoples R China; 9.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 | Zhou, Fang,Ding, Kang,Liu, Yang,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.,Liu, Yang.,Liu, Xiaoyan.,Zhao, Fei.,...&,.(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：上海营养与健康研究所
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