成果/Result
- 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
- 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 2010
- 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
- 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
- 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
- Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2被引量：151收藏
- 作者：Xiong, Rui Zhang, Leike Li, Shiliang Sun, Yuan Ding, Minyi Wang, Yong Zhao, Yongliang Wu, Yan Shang, Weijuan Jiang, Xiaming Shan, Jiwei Shen, Zihao Tong, Yi Xu, Liuxin Chen, Yu Liu, Yingle Zou, Gang Lavillete, Dimitri Zhao, Zhenjiang Wang, Rui Zhu, Lili Xiao, Gengfu Lan, Ke Li, Honglin Xu, Ke
- 机构：Wuhan Univ;East China Univ Sci & Technol;Chinese Acad Sci;Univ Chinese Acad Sci
- 来源：PROTEIN & CELL 2020
- 关键词：de novopyrimidine biosynthesis DHODH inhibitors SARS-CoV-2 influenza viruses virus replication immuno-regulation
- [6]-Gingerol Suppresses Colon cancer Growth by Targeting Leukotriene A4 Hydrolase被引量：148收藏
- 作者：Jeong, Chul-Ho Bode, Ann M. Pugliese, Angelo Cho, Yong-Yeon Kim, Hong-Gyum Shim, Jung-Hyun Jeon, Young-Jin Li, Honglin Jiang, Hualiang Dong, Zigang
- 机构：Univ Minnesota;Chosun Univ;Chinese Acad Sci;E China Univ Sci & Technol
- 来源：CANCER RESEARCH 2009
- SHAFTS: A Hybrid Approach for 3D Molecular Similarity calculation. 1. Method and Assessment of Virtual Screening被引量：143收藏
- 作者：Liu, Xiaofeng Jiang, Hualiang Li, Honglin
- 机构：E China Univ Sci & Technol;Chinese Acad Sci
- 来源：JOURNAL OF CHEMICAL INFORMATION AND MODELING 2011
- 关键词：Scaffolds - Pharmacodynamics - calculations
- G protein-coupled receptors in neurodegenerative diseases and psychiatric disorders被引量：123收藏
- 作者：Wong, Thian-Sze Li, Guangzhi Li, Shiliang Gao, Wei Chen, Geng Gan, Shiyi Zhang, Manzhan Li, Honglin Wu, Song Du, Yang
- 机构：Chinese Univ Hong Kong;Tsinghua Univ;Shenzhen Univ;East China Univ Sci & Technol;East China Normal Univ
- 来源：SIGNAL TRANSDUCTION AND TARGETED THERAPY 2023
- NOREVA: enhanced normalization and evaluation of time-course and multi-class metabolomic data被引量：121收藏
- 作者：Yang, Qingxia Wang, Yunxia Zhang, Ying Li, Fengcheng Xia, Weiqi Zhou, Ying Qiu, Yunqing Li, Honglin Zhu, Feng
- 机构：Zhejiang Univ;Chongqing Univ;Zhejiang Univ;Zhejiang Univ;East China Univ Sci & Technol
- 来源：NUCLEIC ACIDS RESEARCH 2020
- Deep learning approaches for de novo drug design: An overview被引量：89收藏
- 作者：Wang, Mingyang Wang, Zhe Sun, Huiyong Wang, Jike Shen, Chao Weng, Gaoqi Chai, Xin Li, Honglin Cao, Dongsheng Hou, Tingjun
- 机构：Zhejiang Univ;China Pharmaceut Univ;East China Univ Sci & Technol;Cent South Univ
- 来源：CURRENT OPINION IN STRUCTURAL BIOLOGY 2022
- The gene expression profiles in response to 102 traditional Chinese medicine (TCM) components: a general template for research on TCMs被引量：88收藏
- 作者：Lv, Chao Wu, Xueting Wang, Xia Su, Juan Zeng, Huawu Zhao, Jing Lin, Shan Liu, Runhui Li, Honglin Li, Xuan Zhang, Weidong
- 机构：Second Mil Med Univ;China State Inst Pharmaceut Ind;Chinese Acad Sci;East China Univ Sci & Technol;Logist Engn Univ
- 来源：SCIENTIFIC REPORTS 2017
- Pharmacophore-based virtual screening versus docking-based virtual screening: a benchmark comparison against eight targets被引量：84收藏
- 作者：Chen, Zhi Li, Hong-lin Zhang, Qi-jun Bao, Xiao-guang Yu, Kun-qian Luo, Xiao-min Zhu, Wei-liang Jiang, Hua-liang
- 机构：E China Univ Sci & Technol;Chinese Acad Sci
- 来源：ACTA PHARMACOLOGICA SINICA 2009
- 关键词：pharmacophore docking LigandScout enrichment hit rate
- Artificial Intelligence in Pharmaceutical SCIences被引量：81收藏
- 作者：Lu, Mingkun Yin, Jiayi Zhu, Qi Lin, Gaole Mou, Minjie Liu, Fuyao Pan, Ziqi You, Nanxin Lian, Xichen Li, Fengcheng Zhang, Hongning Zheng, Lingyan Zhang, Wei Zhang, Hanyu Shen, Zihao Gu, Zhen Li, Honglin Zhu, Feng
- 机构：Zhejiang Univ;Zhejiang Univ;East China Univ Sci & Technol;Zhejiang Univ;East China Normal Univ
- 来源：ENGINEERING 2023
- 关键词：Artificial intelligence Machine learning Deep learning Target identification Target discovery Drug design Drug discovery
- Free energy landscape for the binding process of Huperzine A to acetylcholinesterase被引量：77收藏
- 作者：Bai, Fang Xu, Yechun Chen, Jing Liu, Qiufeng Gu, Junfeng Wang, Xicheng Ma, Jianpeng Li, Honglin Onuchic, Jose N. Jiang, Hualiang
- 机构：Dalian Univ Technol;Dalian Univ Technol;Chinese Acad Sci;Rice Univ;Rice Univ
- 来源：PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 2013
- 关键词：thermodynamics flexible docking metastable states transition states
- Britanin Ameliorates Cerebral Ischemia-Reperfusion Injury by Inducing the Nrf2 Protective Pathway被引量：76收藏
- 作者：Wu, Guozhen Zhu, Lili Yuan, Xing Chen, Hao Xiong, Rui Zhang, Shoude Cheng, Hao Shen, Yunheng An, Huazhang Li, Tiejun Li, Honglin Zhang, Weidong
- 机构：Second Mil Med Univ;East China Univ Sci & Technol;Second Mil Med Univ;Second Mil Med Univ
- 来源：ANTIOXIDANTS & REDOX SIGNALING 2017
- 关键词：Nrf2 stroke Britanin keap1 ROS
- SHAFTS: A Hybrid Approach for 3D Molecular Similarity calculation. 2. Prospective case Study in the Discovery of Diverse p90 Ribosomal S6 Protein Kinase 2 Inhibitors To Suppress Cell Migration被引量：71收藏
- 作者：Lu, Weiqiang Liu, Xiaofeng Cao, Xianwen Xue, Mengzhu Liu, Kangdong Zhao, Zhenjiang Shen, Xu Jiang, Hualiang Xu, Yufang Huang, Jin Li, Honglin
- 机构：Zhengzhou Univ;E China Univ Sci & Technol
- 来源：JOURNAL OF MEDICINAL CHEMISTRY 2011
- Computational methods for drug design and discovery: focus on China被引量：68收藏
- 作者：Zheng, Mingyue Liu, Xian Xu, Yuan Li, Honglin Luo, Cheng Jiang, Hualiang
- 机构：Chinese Acad Sci;E China Univ Sci & Technol;E China Univ Sci & Technol
- 来源：TRENDS IN PHARMACOLOGICAL SCIENCES 2013
- RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design被引量：66收藏
- 作者：Wang, Mingyang Hsieh, Chang-Yu Wang, Jike Wang, Dong Weng, Gaoqi Shen, Chao Yao, Xiaojun Bing, Zhitong Li, Honglin Cao, Dongsheng Hou, Tingjun
- 机构：Zhejiang Univ;Zhejiang Univ;Tencent;Macau Univ Sci & Technol;Chinese Acad Sci
- 来源：JOURNAL OF MEDICINAL CHEMISTRY 2022
- DDQ-Mediated Oxidative Coupling: An Approach to 2,3-Dicyanofuran (Thiophene)被引量：66收藏
- 作者：Wang, Zheng-Lin Li, Hong-Liang Ge, Li-Shi An, Xing-Lan Zhang, Zi-Gang Luo, Xiaoyan Fossey, John S. Deng, Wei-Ping
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;Univ Birmingham
- 来源：JOURNAL OF ORGANIC CHEMISTRY 2014
- 关键词：Ketones
- Identification of Novel Falcipain-2 Inhibitors as Potential Antimalarial Agents through Structure-Based Virtual Screening被引量：65收藏
- 作者：Li, Honglin Huang, Jin Chen, Lili Liu, Xiaofeng Chen, Tong Zhu, Jin Lu, Weiqiang Shen, Xu Li, Jian Hilgenfeld, Rolf Jiang, Hualiang
- 机构：E China Univ Sci & Technol;Chinese Acad Sci;Med Univ Lubeck
- 来源：JOURNAL OF MEDICINAL CHEMISTRY 2009
- An improved sequence based prediction protocol for DNA-binding proteins using SVM and comprehensive feature analysis被引量：64收藏
- 作者：Zou, Chuanxin Gong, Jiayu Li, Honglin
- 机构：E China Univ Sci & Technol
- 来源：BMC BIOINFORMATICS 2013
- 关键词：Forecasting - Feature Selection - DNA
- Discovery of Pteridin-7(8H)-one-Based Irreversible Inhibitors Targeting the Epidermal Growth Factor Receptor (EGFR) Kinase T790M/L858R Mutant被引量：63收藏
- 作者：Zhou, Wei Liu, Xiaofeng Tu, Zhengchao Zhang, Lianwen Ku, Xin Bai, Fang Zhao, Zhenjiang Xu, Yufang Ding, Ke Li, Honglin
- 机构：E China Univ Sci & Technol;Chinese Acad Sci;Chinese Acad Sci;Tech Univ Munich;Dalian Univ Technol
- 来源：JOURNAL OF MEDICINAL CHEMISTRY 2013
- Synthesis of glucoconjugates of oleanolic acid as inhibitors of glycogen phosphorylase被引量：62收藏
- 作者：Cheng, Keguang Liu, Jun Liu, Xiaofeng Li, Honglin Sun, Hongbin Xie, Juan
- 机构：China Pharmaceut Univ;UniverSud;China Pharmaceut Univ;Chinese Acad Sci;E China Univ Sci & Technol
- 来源：CARBOHYDRATE RESEARCH 2009
- 关键词：Glycogen phosphorylase Oleanolic acid Glucoconjugate Inhibitor Diabetes Click chemistry
- Discovery of Potent and Noncovalent Reversible EGFR Kinase Inhibitors of EGFRL858R/T790M/C797S被引量：59收藏
- 作者：Li, Qiannan Zhang, Tao Li, Shiliang Tong, Linjiang Li, Junyu Su, Zhicheng Feng, Fang Sun, Deheng Tong, Yi Wang, Xia Zhao, Zhenjiang Zhu, Lili Ding, Jian Li, Honglin Xie, Hua Xu, Yufang
- 机构：East China Univ Sci & Technol;Chinese Acad Sci
- 来源：ACS MEDICINAL CHEMISTRY LETTERS 2019
- 关键词：EGFR mutant inhibitor C797S
- A multi-targeting drug design strategy for identifying potent anti-SARS-CoV-2 inhibitors被引量：57收藏
- 作者：Ren, Peng-xuan Shang, Wei-juan Yin, Wan-chao Ge, Huan Wang, Lin Zhang, Xiang-lei Li, Bing-qian Li, Hong-lin Xu, Ye-chun Xu, Eric H. Jiang, Hua-liang Zhu, Li-li Zhang, Lei-ke Bai, Fang
- 机构：ShanghaiTech Univ;ShanghaiTech Univ;Chinese Acad Sci;Chinese Acad Sci;East China Univ Sci & Technol
- 来源：ACTA PHARMACOLOGICA SINICA 2022
- 关键词：SARS-CoV-2 inhibitors RdRp host ribosome Virus RNA
- A diversity-oriented rhodamine library for wide-spectrum bactericidal agents with low inducible resistance against resistant pathogens被引量：55收藏
- 作者：Luo, Xiao Qian, Liujia Xiao, Yansheng Tang, Yao Zhao, Yang Wang, Xia Gu, Luyan Lei, Zuhai Bao, Jianming Wu, Jiahui He, Tingting Hu, Fupin Zheng, Jing Li, Honglin Zhu, Weiping Shao, Lei Dong, Xiaojing Chen, Daijie Qian, Xuhong Yang, Youjun
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Shanghai Jiao Tong Univ;Shanghai Inst Pharmaceut Ind;East China Univ Sci & Technol
- 来源：NATURE COMMUNICATIONS 2019
- Neojaponicone A, a bioactive sesquiterpene lactone dimer with an unprecedented carbon skeleton from Inula japonica被引量：54收藏
- 作者：Qin, Jiang Jiang Wang, Li Yan Zhu, Jia Xian Jin, Hui Zi Fu, Jian Jun Liu, Xiao Feng Li, Hong Lin Zhang, Wei Dong
- 机构：Shanghai Jiao Tong Univ;E China Univ Sci & Technol;Second Mil Med Univ
- 来源：CHEMICAL COMMUNICATIONS 2011
- Novel Selective and Potent Inhibitors of Malaria Parasite Dihydroorotate Dehydrogenase: Discovery and Optimization of Dihydrothiophenone Derivatives被引量：54收藏
- 作者：Xu, Minghao Zhu, Junsheng Diao, Yanyan Zhou, Hongchang Ren, Xiaoli Sun, Deheng Huang, Jin Han, Dongmei Zhao, Zhenjiang Zhu, Lili Xu, Yufang Li, Honglin
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;Huzhou Teachers Coll;Shanghai Jiao Tong Univ
- 来源：JOURNAL OF MEDICINAL CHEMISTRY 2013
- PFmulDL: a novel strategy enabling multi-class and multi-label protein function annotation by integrating diverse deep learning methods被引量：54收藏
- 作者：Xia, Weiqi Zheng, Lingyan Fang, Jiebin Li, Fengcheng Zhou, Ying Zeng, Zhenyu Zhang, Bing Li, Zhaorong Li, Honglin Zhu, Feng
- 机构：Zhejiang Univ;Zhejiang Univ;East China Univ Sci & Technol
- 来源：COMPUTERS IN BIOLOGY AND MEDICINE 2022
- 关键词：Protein function prediction Deep learning Gene ontology Convolutional neural network Recurrent neural network
