成果/Result
- admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties被引量：1485收藏
- 作者：Cheng, Feixiong Li, Weihua Zhou, Yadi Shen, Jie Wu, Zengrui Liu, Guixia Lee, Philip W. Tang, Yun
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF CHEMICAL INFORMATION AND MODELING 2012
- 关键词：Industrial chemicals - Classification (of information) - Regression analysis - Consumer products - Indicators (chemical) - Additives - Chemical contamination - Database systems
- PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database被引量：1198收藏
- 作者：Wang, Xia Shen, Yihang Wang, Shiwei Li, Shiliang Zhang, Weilin Liu, Xiaofeng Lai, Luhua Pei, Jianfeng Li, Honglin
- 机构：East China Univ Sci & Technol;Peking Univ
- 来源：NUCLEIC ACIDS RESEARCH 2017
- admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties被引量：915收藏
- 作者：Yang, Hongbin Lou, Chaofeng Sun, Lixia Li, Jie Cai, Yingchun Wang, Zhuang Li, Weihua Liu, Guixia Tang, Yun
- 机构：East China Univ Sci & Technol
- 来源：BIOINFORMATICS 2019
- Ultra-large library docking for discovering new chemotypes被引量：705收藏
- 作者：Lyu, Jiankun Wang, Sheng Balius, Trent E. Singh, Isha Levit, Anat Moroz, Yurii S. O'Meara, Matthew J. Che, Tao Algaa, Enkhjargal Tolmachova, Kateryna Tolmachev, Andrey A. Shoichet, Brian K. Roth, Bryan L. Irwin, John J.
- 机构：Univ Calif San Francisco;East China Univ Sci & Technol;Univ Chinese Acad Sci;Univ North Carolina;Natl Taras Shevchenko Univ Kiev
- 来源：NATURE 2019
- Prediction of Drug-Target Interactions and Drug Repositioning via Network-Based Inference被引量：626收藏
- 作者：Cheng, Feixiong Liu, Chuang Jiang, Jing Lu, Weiqiang Li, Weihua Liu, Guixia Zhou, Weixing Huang, Jin Tang, Yun
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol
- 来源：PLOS COMPUTATIONAL BIOLOGY 2012
- 关键词：Cell culture - Complex networks - Computation theory - Drug interactions - Tensors
- Recent Advances in the Chemical Synthesis of C-Glycosides被引量：551收藏
- 作者：Yang, You Yu, Biao
- 机构：East China Univ Sci & Technol;Chinese Acad Sci
- 来源：CHEMICAL REVIEWS 2017
- 关键词：Glycosylation - Synthesis (chemical) - Cycloaddition - Metal complexes - Transition metals - Transition metal compounds
- ADMET-score - a comprehensive scoring function for evaluation of chemical drug-likeness被引量：436收藏
- 作者：Guan, Longfei Yang, Hongbin Cai, Yingchun Sun, Lixia Di, Peiwen Li, Weihua Liu, Guixia Tang, Yun
- 机构：East China Univ Sci & Technol
- 来源：MEDCHEMCOMM 2019
- SoNar, a Highly Responsive NAD+/NADH Sensor, Allows High-Throughput Metabolic Screening of Anti-tumor Agents被引量：321收藏
- 作者：Zhao, Yuzheng Hu, Qingxun Cheng, Feixiong Su, Ni Wang, Aoxue Zou, Yejun Hu, Hanyang Chen, Xianjun Zhou, Hai-Meng Huang, Xinzhi Yang, Kai Zhu, Qian Wang, Xue Yi, Jing Zhu, Linyong Qian, Xuhong Chen, Lixin Tang, Yun Loscalzo, Joseph Yang, Yi
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;E China Univ Sci & Technol;E China Univ Sci & Technol;Tsinghua Univ
- 来源：CELL METABOLISM 2015
- FRET-Based Mito-Specific Fluorescent Probe for Ratiometric Detection and Imaging of Endogenous Peroxynitrite: Dyad of Cy3 and Cy5被引量：316收藏
- 作者：Jia, Xiaotong Chen, Qiangqiang Yang, Yingfang Tang, Yao Wang, Rui Xu, Yufang Zhu, Weiping Qian, Xuhong
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2016
- 关键词：Fluorescence spectroscopy - Probes
- Genetically encoded fluorescent sensors reveal dynamic regulation of NADPH metabolism被引量：269收藏
- 作者：Tao, Rongkun Zhao, Yuzheng Chu, Huanyu Wang, Aoxue Zhu, Jiahuan Chen, Xianjun Zou, Yejun Shi, Mei Liu, Renmei Su, Ni Du, Jiulin Zhou, Hai-Meng Zhu, Linyong Qian, Xuhong Liu, Haiyan Loscalzo, Joseph Yang, Yi
- 机构：East China Univ Sci & Technol;Chinese Acad Sci;East China Univ Sci & Technol;Univ Sci & Technol China;Tsinghua Univ
- 来源：NATURE METHODS 2017
- A dual-response BODIPY-based fluorescent probe for the discrimination of glutathione from cystein and homocystein被引量：264收藏
- 作者：Wang, Feiyi Zhou, Li Zhao, Chunchang Wang, Rui Fei, Qiang Luo, Sihang Guo, Zhiqian Tian, He Zhu, Wei-Hong
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;E China Univ Sci & Technol
- 来源：CHEMICAL SCIENCE 2015
- 关键词：Cyclization - Probes - Covalent bonds - Fluorescence imaging - Peptides - Sulfur compounds
- Target identification among known drugs by deep learning from heterogeneous networks被引量：244收藏
- 作者：Zeng, Xiangxiang Zhu, Siyi Lu, Weiqiang Liu, Zehui Huang, Jin Zhou, Yadi Fang, Jiansong Huang, Yin Guo, Huimin Li, Lang Trapp, Bruce D. Nussinov, Ruth Eng, Charis Loscalzo, Joseph Cheng, Feixiong
- 机构：Hunan Univ;Xiamen Univ;East China Normal Univ;East China Normal Univ;East China Univ Sci & Technol
- 来源：CHEMICAL SCIENCE 2020
- 关键词：Network embeddings - Deep learning - Genome
- Graphene quantum dots/gold electrode and its application in living cell H2O2 detection被引量：236收藏
- 作者：Zhang, Yan Wu, Congyu Zhou, Xuejiao Wu, Xiaochen Yang, Yongqiang Wu, Haixia Guo, Shouwu Zhang, Jingyan
- 机构：Shanghai Jiao Tong Univ;E China Univ Sci & Technol
- 来源：NANOSCALE 2013
- 关键词：Graphene - Semiconductor quantum dots - Gold compounds - Nanocrystals
- Enhancing the Enrichment of Pharmacophore-Based Target Prediction for the Polypharmacological Profiles of Drugs被引量：236收藏
- 作者：Wang, Xia Pan, Chenxu Gong, Jiayu Liu, Xiaofeng Li, Honglin
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol
- 来源：JOURNAL OF CHEMICAL INFORMATION AND MODELING 2016
- 关键词：Drug interactions - Probability distributions - Query processing - Forecasting
- Interactions of graphene and graphene oxide with proteins and peptides被引量：207收藏
- 作者：Zhang, Yan Wu, Congyu Guo, Shouwu Zhang, Jingyan
- 机构：Shanghai Jiao Tong Univ;E China Univ Sci & Technol
- 来源：NANOTECHNOLOGY REVIEWS 2013
- 关键词：enzyme graphene graphene oxide interaction peptide protein
- In Silico ADMET Prediction : Recent Advances, Current Challenges and Future Trends被引量：201收藏
- 作者：Cheng, Feixiong Li, Weihua Liu, Guixia Tang, Yun
- 机构：E China Univ Sci & Technol
- 来源：CURRENT TOPICS IN MEDICINAL CHEMISTRY 2013
- 关键词：ADMET drug discovery hazard risk assessment systems toxicology QSAR data-integration combined classifier substructure pattern recognition
- Insight into the Cellular Internalization and Cytotoxicity of Graphene Quantum Dots被引量：185收藏
- 作者：Wu, Congyu Wang, Chong Han, Ting Zhou, Xuejiao Guo, Shouwu Zhang, Jingyan
- 机构：Shanghai Jiao Tong Univ;E China Univ Sci & Technol
- 来源：ADVANCED HEALTHCARE MATERIALS 2013
- 关键词：cellular internalization cytotoxicity distribution graphene quantum dots
- Fluorescent In Situ Targeting Probes for Rapid Imaging of Ovarian-Cancer-Specific γ-Glutamyltranspeptidase被引量：184收藏
- 作者：Wang, Feiyi Zhu, Ying Zhou, Li Pan, Liang Cui, Zhifen Fei, Qiang Luo, Sihang Pan, Dun Huang, Qing Wang, Rui Zhao, Chunchang Tian, He Fan, Chunhai
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;Chinese Acad Sci;E China Univ Sci & Technol
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2015
- 关键词：aromatic hydrocarbon transfer enzymes fluorescence photophysics tumor cells
- O-Glycosylation methods in the total synthesis of complex natural glycosides被引量：176收藏
- 作者：Yang, You Zhang, Xiaheng Yu, Biao
- 机构：E China Univ Sci & Technol;Chinese Acad Sci
- 来源：NATURAL PRODUCT REPORTS 2015
- Direct Asymmetric Synthesis of β-Bis-Aryl-α-Amino Acid Esters via Enantioselective Copper-Catalyzed Addition of p-Quinone Methides被引量：170收藏
- 作者：He, Fu-Sheng Jin, Jing-Hai Yang, Zhong-Tao Yu, Xingxin Fossey, John S. Deng, Wei-Ping
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;Univ Birmingham
- 来源：ACS CATALYSIS 2016
- 关键词：unnatural alpha-amino acids asymmetric catalysis copper conjugate addition para-quinone methides
- In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts被引量：168收藏
- 作者：Yang, Hongbin Sun, Lixia Li, Weihua Liu, Guixia Tang, Yun
- 机构：East China Univ Sci & Technol
- 来源：FRONTIERS IN CHEMISTRY 2018
- 关键词：drug safety chemical toxicity drug design machine learning structural alerts
- In silico Prediction of Chemical Ames Mutagenicity被引量：168收藏
- 作者：Xu, Congying Cheng, Feixiong Chen, Lei Du, Zheng Li, Weihua Liu, Guixia Lee, Philip W. Tang, Yun
- 机构：E China Univ Sci & Technol;Chinese Acad Sci
- 来源：JOURNAL OF CHEMICAL INFORMATION AND MODELING 2012
- 关键词：Decision trees - Forecasting - Neural networks - Nearest neighbor search
- A Three-Channel Fluorescent Probe That Distinguishes Peroxynitrite from Hypochlorite被引量：167收藏
- 作者：Zhang, Quanjuan Zhu, Zhichuan Zheng, Yongli Cheng, Jiagao Zhang, Na Long, Yi-Tao Zheng, Jing Qian, Xuhong Yang, Youjun
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;E China Univ Sci & Technol;E China Univ Sci & Technol;Shanghai Jiao Tong Univ
- 来源：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2012
- 关键词：Fluorescence - Probes
- Network-Based Methods and Their Applications in Drug Discovery被引量：166收藏
- 作者：Yu, Zhuohang Wu, Zengrui Wang, Ze Wang, Yimeng Zhou, Moran Li, Weihua Liu, Guixia Tang, Yun
- 机构： Shanghai Frontiers Science Center of Optogenetic Techniques for Cell Metabolism
- 来源：Journal of Chemical Information and Modeling 2024
- Functional Metabolomics Characterizes a Key Role for N-Acetylneuraminic Acid in Coronary Artery Diseases被引量：164收藏
- 作者：Zhang, Lei Wei, Ting-Ting Li, Yong Li, Jing Fan, Yong Huang, Feng-Qing Cai, Yuan-Yuan Ma, Gaoxiang Liu, Jin-Feng Chen, Qian-Qian Wang, Shi-Lei Li, Honglin Alolga, Raphael N. Liu, Baolin Zhao, Dong-Sheng Shen, Jian-Hua Wang, Xiang-Ming Zhu, Wei Li, Ping Qi, Lian-Wen
- 机构：China Pharmaceut Univ;Nanjing Med Univ;China Pharmaceut Univ;Jiangsu Univ;East China Univ Sci & Technol
- 来源：CIRCULATION 2018
- 关键词：biomarkers cardiovascular diseases coronary artery disease metabolomics myocardial ischemia neuraminidase
- Unique Tr-Output Optical Probe for Specific and Ultrasensitive Detection of Hydrazine被引量：161收藏
- 作者：Cui, Lei Ji, Chunfei Peng, Zhixing Zhong, Lin Zhou, Chaohui Yan, Luliang Qu, Song Zhang, Shuping Huang, Chusen Qian, Xuhong Xu, Yufang
- 机构：Shanghai Univ Sci & Technol;E China Univ Sci & Technol;Shanghai Normal Univ
- 来源：ANALYTICAL CHEMISTRY 2014
- ChemMapper: a versatile web server for exploring pharmacology and chemical structure association based on molecular 3D similarity method被引量：160收藏
- 作者：Gong, Jiayu Cai, Chaoqian Liu, Xiaofeng Ku, Xin Jiang, Hualiang Gao, Daqi Li, Honglin
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;Tech Univ Munich
- 来源：BIOINFORMATICS 2013
- Clodronate-loaded liposomal and fibroblast-derived exosomal hybrid system for enhanced drug delivery to pulmonary fibrosis被引量：157收藏
- 作者：Sun, Lingna Fan, Mingrui Huang, Dong Li, Bingqin Xu, Ruoting Gao, Feng Chen, Yanzuo
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：BIOMATERIALS 2021
- 关键词：Pulmonary fibrotic therapy Exosomes Liposomes Macrophages depletion Fibrosis penetration
- Dynamic Kinetic Resolution of Biaryl Lactones via a Chiral Bifunctional Amine Thiourea-Catalyzed Highly Atropoenantioselective Transesterification被引量：157收藏
- 作者：Yu, Chenguang Huang, He Li, Xiangmin Zhang, Yueteng Wang, Wei
- 机构：Univ New Mexico;E China Univ Sci & Technol;E China Univ Sci & Technol
- 来源：JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2016
- 关键词：Enantioselectivity - Transesterification - Esters
- Chemical biotechnology for plant protection被引量：157收藏
- 作者：Zhao, Zhenjiang Xu, Yufang Qian, Xuhong
- 机构： Shanghai Key Laboratory of New Drug Design; Shanghai Key Laboratory of Chemical Biology
- 来源：RSC Green Chemistry 2015
