上海市新药设计重点实验室
所属学院：药学院
研究方向：实验室以信息为导向，开展“药物化学生物学方法”、“药物信息与设计方法”和“药物合成及优化方法”三个方面研究，重点开展创新药物设计的基础研究及应用基础研究。自主发展的药物及靶标发现关键技术，从药物发现流程源头创新；结合药物研发的交叉学科特点，利用高校多学科、领域人才及平台优势；瞄准学科前沿领域，以信息及系统生物学手段指导创新药物研究；重在基础，突出应用！以基础研究促进应用研究，以应用研究带动基础创新。
团队组长：李洪林
团队成员：李诗良 赵振江 朱丽丽 程家高 李卫华 刘桂霞 唐赟 陈卓 黄瑾 李剑 李浩 邓卫平 曾步兵 杨友 褚长虎 付建军 韩伟 金郁 楼开炎 任国宾 刘建文 马磊 赵玉政
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共 2,705 条 记 录，以下是 1-30
- 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
- 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
- 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
- PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach被引量：654收藏
- 作者：Liu, Xiaofeng Ouyang, Sisheng Yu, Biao Liu, Yabo Huang, Kai Gong, Jiayu Zheng, Siyuan Li, Zhihua Li, Honglin Jiang, Hualiang
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;Chinese Acad Sci;E China Univ Sci & Technol;Chinese Acad Sci
- 来源：NUCLEIC ACIDS RESEARCH
- 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
- 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
- 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
- Biomarkers of aging被引量：333收藏
- 作者：Aging Biomarker Consortium Bao, Hainan Cao, Jiani Chen, Mengting Chen, Min Chen, Wei Chen, Xiao Chen, Yanhao Chen, Yu Chen, Yutian Chen, Zhiyang Chhetri, Jagadish K. Ding, Yingjie Feng, Junlin Guo, Jun Guo, Mengmeng He, Chuting Jia, Yujuan Jiang, Haiping Jing, Ying Li, Dingfeng Li, Jiaming Li, Jingyi Liang, Qinhao Liang, Rui Liu, Xiaoqian Liu, Zuojun Luo, Oscar Junhong Lv, Jianwei Ma, Jingyi Mao, Kehang Nie, Jiawei Qiao, Xinhua Sun, Xinpei Tang, Xiaoqiang Wang, Jianfang Wang, Qiaoran Wang, Siyuan Wang, Xuan Wang, Yaning Wang, Yuhan Wu, Rimo Xia, Kai Xiao, Fu-Hui Xu, Lingyan Xu, Yingying Yan, Haoteng Yang, Liang Yang, Ruici Yang, Yuanxin Ying, Yilin Zhang, Le Zhang, Weiwei Zhang, Wenwan Zhang, Xing Zhang, Zhuo Zhou, Min Zhou, Rui Zhu, Qingchen Zhu, Zhengmao Cao, Feng Cao, Zhongwei Chan, Piu Chen, Chang Chen, Guobing Chen, Hou-Zao Chen, Jun Ci, Weimin Ding, Bi-Sen Ding, Qiurong Gao, Feng Han, Jing-Dong J. Huang, Kai Ju, Zhenyu Kong, Qing-Peng Li, Ji Li, Jian Li, Xin Liu, Baohua Liu, Feng Liu, Lin Liu, Qiang Liu, Xingguo Liu, Yong Luo, Xianghang Ma, Shuai Ma, Xinran Mao, Zhiyong Nie, Jing Peng, Yaojin Qu, Jing Ren, Jie Ren, Ruibao Song, Moshi Zhou Songyang Sun, Yi Eve Sun, Yu Tian, Mei Wang, Shusen Wang, Si Wang, Xia Wang, Xiaoning Wang, Yan-Jiang Wang, Yunfang Wong, Catherine C. L. Xiang, Andy Peng Xiao, Yichuan Xie, Zhengwei Xu, Daichao Ye, Jing Yue, Rui Zhang, Cuntai Zhang, Hongbo Zhang, Liang Zhang, Weiqi Zhang, Yong Zhang, Yun-Wu Zhang, Zhuohua Zhao, Tongbiao Zhao, Yuzheng Zhu, Dahai Zou, Weiguo Pei, Gang Liu, Guang-Hui
- 机构：Aging Biomarker Consortium ABC;Chinese Acad Sci;China Natl Ctr Bioinformat;Chinese Acad Sci;Cent South Univ
- 来源：SCIENCE CHINA-LIFE SCIENCES
- 下载全文在线阅读
- 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
- 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
- Mitochondrial copper depletion suppresses triple-negative breast cancer in mice被引量：304收藏
- 作者：Cui, Liyang Gouw, Arvin M. LaGory, Edward L. Guo, Shenghao Attarwala, Nabeel Tang, Yao Qi, Ji Chen, Yun-Sheng Gao, Zhou Casey, Kerriann M. Bazhin, Arkadiy A. Chen, Min Hu, Leeann Xie, Jinghang Fang, Mingxi Zhang, Cissy Zhu, Qihua Wang, Zhiyuan Giaccia, Amato J. Gambhir, Sanjiv Sam Zhu, Weiping Felsher, Dean W. Pegram, Mark D. Goun, Elena A. Le, Anne Rao, Jianghong
- 机构：Stanford Univ;Stanford Univ;Stanford Univ;Stanford Univ;Johns Hopkins Univ
- 来源：NATURE BIOTECHNOLOGY
- Estimation of ADME Properties with Substructure Pattern Recognition被引量：269收藏
- 作者：Shen, Jie Cheng, Feixiong Xu, You Li, Weihua Tang, Yun
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF CHEMICAL INFORMATION AND MODELING
- 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
- Oxidative stress contributes to silica nanoparticle-induced cytotoxicity in human embryonic kidney cells被引量：262收藏
- 作者：Wang, Fen Gao, Feng Lan, Minbo Yuan, Huihui Huang, Yongping Liu, Jianwen
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;E China Univ Sci & Technol
- 来源：TOXICOLOGY IN VITRO
- Regulation of G6PD acetylation by SIRT2 and KAT9 modulates NADPH homeostasis and cell survival during oxidative stress被引量：257收藏
- 作者：Wang, Yi-Ping Zhou, Li-Sha Zhao, Yu-Zheng Wang, Shi-Wen Chen, Lei-Lei Liu, Li-Xia Ling, Zhi-Qiang Hu, Fu-Jun Sun, Yi-Ping Zhang, Jing-Ye Yang, Chen Yang, Yi Xiong, Yue Guan, Kun-Liang Ye, Dan
- 机构：Fudan Univ;Fudan Univ;E China Univ Sci & Technol;Chinese Acad Sci;Chinese Acad Sci
- 来源：EMBO JOURNAL
- Visualizing RNA dynamics in live cells with bright and stable fluorescent RNAs被引量：249收藏
- 作者：Chen, Xianjun Zhang, Dasheng Su, Ni Bao, Bingkun Xie, Xin Zuo, Fangting Yang, Lipeng Wang, Hui Jiang, Li Lin, Qiuning Fang, Mengyue Li, Ningfeng Hua, Xin Chen, Zhengda Bao, Chunyan Xu, Jinjin Du, Wenli Zhang, Lixin Zhao, Yuzheng Zhu, Linyong Loscalzo, Joseph Yang, Yi
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Chinese Acad Sci;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：NATURE BIOTECHNOLOGY
- 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
- Genetically Encoded Fluorescent Sensors for Intracellular NADH Detection被引量：238收藏
- 作者：Zhao, Yuzheng Jin, Jing Hu, Qingxun Zhou, Hai-Meng Yi, Jing Yu, Zhenhang Xu, Lei Wang, Xue Yang, Yi Loscalzo, Joseph
- 机构：E China Univ Sci & Technol;Tsinghua Univ;Shanghai Jiao Tong Univ;China Natl Ctr Biotechnol Dev;Harvard Univ
- 来源：CELL METABOLISM
- 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
- SIRT5 inhibits peroxisomal ACOX1 to prevent oxidative damage and is downregulated in liver cancer被引量：226收藏
- 作者：Chen, Xiu-Fei Tian, Meng-Xin Sun, Ren-Qiang Zhang, Meng-Li Zhou, Li-Sha Jin, Lei Chen, Lei-Lei Zhou, Wen-Jie Duan, Kun-Long Chen, Yu-Jia Gao, Chao Cheng, Zhou-Li Wang, Fang Zhang, Jin-Ye Sun, Yi-Ping Yu, Hong-Xiu Zhao, Yu-Zheng Yang, Yi Liu, Wei-Ren Shi, Ying-Hong Xiong, Yue Guan, Kun-Liang Ye, Dan
- 机构：Shanghai Med Coll;Fudan Univ;Fudan Univ;Fudan Univ;Minist Educ
- 来源：EMBO REPORTS
- 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
- Role of acetylation and extracellular location of heat shock protein 90α in tumor cell invasion被引量：199收藏
- 作者：Yang, Yonghua Rao, Rehka Shen, Jie Tang, Yun Fiskus, Warren Nechtman, John Atadja, Peter Bhalla, Kapil
- 机构：Med Coll Georgia;E China Univ Sci & Technol;Novartis Inst Biomed Res Inc
- 来源：CANCER RESEARCH
- Qualitative and quantitative analysis in quality control of traditional Chinese medicines被引量：193收藏
- 作者：Liang, Xin-miao Jin, Yu Wang, Yan-ping Jin, Gao-wa Fu, Qing Xiao, Yuan-sheng
- 机构：Chinese Acad Sci;E China Univ Sci & Technol
- 来源：JOURNAL OF CHROMATOGRAPHY A
- Pharos: Collating protein information to shed light on the druggable genome被引量：189收藏
- 作者：Dac-Trung Nguyen Mathias, Stephen Bologa, Cristian Brunak, Soren Fernandez, Nicolas Gaulton, Anna Hersey, Anne Holmes, Jayme Jensen, Lars Juhl Karlsson, Anneli Liu, Guixia Ma'ayan, Avi Mandava, Geetha Mani, Subramani Mehta, Saurabh Overington, John Patel, Juhee Rouillard, Andrew D. Schurer, Stephan Sheils, Timothy Simeonov, Anton Sklar, Larry A. Southall, Noel Ursu, Oleg Vidovic, Dusica Waller, Anna Yang, Jeremy Jadhav, Ajit Oprea, Tudor I. Guha, Rajarshi
- 机构：Natl Ctr Advancing Translat Sci;Icahn Sch Med Mt Sinai;Univ New Mexico;Univ New Mexico;Univ Miami
- 来源：NUCLEIC ACIDS RESEARCH
- Recent developments in multimodality fluorescence imaging probes被引量：188收藏
- 作者：Zhao, Jianhong Chen, Junwei Ma, Shengnan Liu, Qianqian Huang, Lixian Chen, Xiani Lou, Kaiyan Wang, Wei
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Univ New Mexico
- 来源：ACTA PHARMACEUTICA SINICA B
- Stereoselective Synthesis of Planar Chiral Ferrocenes被引量：182收藏
- 作者：Deng, Wei-Ping Snieckus, Victor Metallinos, Costa
- 机构： East China University of Science and Technology; Queen's University; Brock University
- 来源：Chiral Ferrocenes in Asymmetric Catalysis: Synthesis and Applications
- 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
- Scaffold Diversity Inspired by the Natural Product Evodiamine: Discovery of Highly Potent and Multitargeting Antitumor Agents被引量：173收藏
- 作者：Wang, Shengzheng Fang, Kun Dong, Guoqiang Chen, Shuqiang Liu, Na Miao, Zhenyuan Yao, Jianzhong Li, Jian Zhang, Wannian Sheng, Chunquan
- 机构：Second Mil Med Univ;Fourth Mil Med Univ;E China Univ Sci & Technol
- 来源：JOURNAL OF MEDICINAL CHEMISTRY
- 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
- Nano-SiO2 induces apoptosis via activation of p53 and Bax mediated by oxidative stress in human hepatic cell line被引量：170收藏
- 作者：Ye, Yiyi Liu, Jianwen Xu, Jianhe Sun, Lijuan Chen, Mingcang Lan, Minbo
- 机构：E China Univ Sci & Technol
- 来源：TOXICOLOGY IN VITRO
