Rational Design of Organelle-Targeted Fluorescent Probes:Insights from Artificial Intelligence
作者机构：Xiangya School of Pharmaceutical SciencesCentral South UniversityChangsha 410083P.R.China National Engineering Research Center of Rice and Byproduct Deep ProcessingSchool of Food Science and EngineeringCentral South University of Forestry and TechnologyChangsha 410004P.R.China State Key Laboratory of Drug ResearchDrug Discovery and Design CenterShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203P.R.China
出 版 物：《Research》 (研究(英文))
年 卷 期：2023年第2023卷第3期
页 面：769-779页
核心收录：
学科分类：1002[医学-临床医学] 100214[医学-肿瘤学] 10[医学]
基 金：the National Natural Science Foundation of China(Grant Nos.22003078,82272067,and M-0696) d the Central South University Innovation-Driven Research Program(Grant Nos.2023CXQD004 and 2023QYJC021)
摘 要：Monitoring the physiological changes of organelles is essential for understanding the local biological information of cells and for improving the diagnosis and therapy of ***,fluorescent probes are considered as the most powerful tools for imaging and have been widely applied in biomedical ***,the expected targeting effects of these probes are often inconsistent with the real *** design of fluorescent probes mainly depends on the empirical knowledge of researchers,which was inhibited by limited chemical space and low ***,we proposed a novel multilevel framework for the prediction of organelle-targeted fluorescent probes by employing advanced artificial intelligence *** this way,not only the targeting mechanism could be interpreted beyond intuitions but also a quick evaluation method could be established for the rational ***,the targeting and imaging powers of the optimized and synthesized probes based on this methodology were verified by quantitative calculation and experiments.
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