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成果类型:
期刊论文
作者:
Zhu, Yingli;Qian, Jie;Yu, Kunqian;Hou, Jing;Ma, Yeshuo;...
通讯作者:
Dong, Jie;Zeng, WB
作者机构:
[Chen, Fei; Dong, Jie; Zeng, Wenbin; Zhu, Yingli; Hou, Jing; Dong, J; Zeng, WB] Cent South Univ, Xiangya Sch Pharmaceut Sci, Changsha 410083, Peoples R China.
[Qian, Jie] Cent South Univ Forestry & Technol, Natl Engn Res Ctr Rice & Byprod Deep Proc, Sch Food Sci & Engn, Changsha 410004, Peoples R China.
[Yu, Kunqian] Chinese Acad Sci, Drug Discovery & Design Ctr, State Key Lab Drug Res, Shanghai Inst Mat Med, Shanghai 201203, Peoples R China.
[Ma, Yeshuo] Cent South Univ, Xiangya Hosp 3, Dept Geriatr, Changsha 410013, Peoples R China.
通讯机构:
[Dong, J; Zeng, WB ] C
Cent South Univ, Xiangya Sch Pharmaceut Sci, Changsha 410083, Peoples R China.
语种:
英文
关键词:
Theranostic probe;Artificial intelligence;Conformational restriction;Fluorescence restoration;Design strategy
期刊:
中国化学快报:英文版
ISSN:
1001-8417
年:
2023
卷:
35
期:
2
页码:
108948
基金类别:
National Natural Science Foundation of China [82272067, 81974386, 22107123, 22003078, M-0696]; Science and Technology Foundation of Hunan Province [2022JJ80052, 2022JJ40656]; Innovation Fund for Postgraduate Students of Central South University [2021zzts0980, 2023ZZTS0842]
机构署名:
本校为其他机构
院系归属:
食品科学与工程学院
摘要:
Multifunctional molecules with both optical signal and pharmacological activity play an important role in drug development, disease diagnosis, and basic theoretical research. Aminopeptidase N (APN), as a representative tumor biomarker with anti-tumor potential, still lacks a high-precision theranostic probe specifically targeting it. In this study, a novel quaternity design strategy for APN theranostic probe was developed. This proposed strategy utilizes advanced machine learning and molecular dynamics simulations, and cleverly employs the strategy of conformation-induced fluorescence recovery...

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