成果/Result
- 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
- 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
- Targeting Pyrimidine Metabolism in the Era of Precision Cancer Medicine被引量：140收藏
- 作者：Wang, Wanyan Cui, Jiayan Ma, Hui Lu, Weiqiang Huang, Jin
- 机构：East China Univ Sci & Technol;East China Normal Univ;East China Normal Univ
- 来源：FRONTIERS IN ONCOLOGY 2021
- 关键词：metabolic reprogram pyrimidine metabolism precision medicine dihydroorotate dehydrogenase pyrimidine inhibitor
- A genome-wide positioning systems network algorithm for in silico drug repurposing被引量：136收藏
- 作者：Cheng, Feixiong Lu, Weiqiang Liu, Chuang Fang, Jiansong Hou, Yuan Handy, Diane E. Wang, Ruisheng Zhao, Yuzheng Yang, Yi Huang, Jin Hill, David E. Vidal, Marc Eng, Charis Loscalzo, Joseph
- 机构：Cleveland Clin;Case Western Reserve Univ;Case Western Reserve Univ;East China Normal Univ;East China Normal Univ
- 来源：NATURE COMMUNICATIONS 2019
- Assembly of a Highly Stable Luminescent Zn5 Cluster and Application to Bio-Imaging被引量：99收藏
- 作者：Zeng, Ming-Hua Yin, Zheng Liu, Ze-Hui Xu, Hai-Bing Feng, Ying-Chun Hu, Yue-Qiao Chang, Li-Xian Zhang, Yue-Xing Huang, Jin Kurmoo, Mohamedally
- 机构：Guangxi Normal Univ;Hubei Univ;Shaanxi Univ Sci & Technol;East China Univ Sci & Technol;Univ Strasbourg
- 来源：ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2016
- 关键词：3d-metal coordination cluster bio-imaging fluorescence probes pH sensitivity Zn clusters
- Discovering Potent Small Molecule Inhibitors of Cyclophilin A Using de Novo Drug Design Approach被引量：82收藏
- 作者：Ni, Shuaishuai Yuan, Yaxia Huang, Jin Mao, Xiaona Lv, Maosheng Zhu, Jin Shen, Xu Pei, Jianfeng Lai, Luhua Jiang, Hualiang Li, Jian
- 机构：Peking Univ;Peking Univ;E China Univ Sci & Technol;Chinese Acad Sci
- 来源：JOURNAL OF MEDICINAL CHEMISTRY 2009
- 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
- Pharmacological inhibition of dihydroorotate dehydrogenase induces apoptosis and differentiation in acute myeloid leukemia cells被引量：71收藏
- 作者：Wu, Dang Wang, Wanyan Chen, Wuyan Lian, Fulin Lang, Li Huang, Ying Xu, Yechun Zhang, Naixia Chen, Yinbin Liu, Mingyao Nussinov, Ruth Cheng, Feixiong Lu, Weiqiang Huang, Jin
- 机构：East China Univ Sci & Technol;Chinese Acad Sci;Guangdong Inst Drug Control;East China Normal Univ;East China Normal Univ
- 来源：HAEMATOLOGICA 2018
- In silico prediction of chemical mechanism of action via an improved network-based inference method被引量：68收藏
- 作者：Wu, Zengrui Lu, Weiqiang Wu, Dang Luo, Anqi Bian, Hanping Li, Jie Li, Weihua Liu, Guixia Huang, Jin Cheng, Feixiong Tang, Yun
- 机构：East China Univ Sci & Technol;East China Normal Univ;East China Normal Univ;Sichuan Univ;Harvard Med Sch
- 来源：BRITISH JOURNAL OF PHARMACOLOGY 2016
- 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
- Identification of Essential Sensitive Regions of the Aerolysin Nanopore for Single Oligonucleotide Analysis被引量：61收藏
- 作者：Wang, Ya-Qian Li, Meng-Yin Qiu, Hu Cao, Chan Wang, Ming-Bo Wu, Xue-Yuan Huang, Jin Ying, Yi-Lun Long, Yi-Tao
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;Nanjing Univ Aeronaut & Astronaut;East China Univ Sci & Technol
- 来源：ANALYTICAL CHEMISTRY 2018
- 关键词：Molecular dynamics - Amino acids - Electrostatics - Nucleic acids - Oligonucleotides - Bioinformatics
- New tricks for human farnesyltransferase inhibitor: cancer and beyond被引量：59收藏
- 作者：Wang, Jingyuan Yao, Xue Huang, Jin
- 机构：East China Univ Sci & Technol
- 来源：MEDCHEMCOMM 2017
- Rationally Designed Sensing Selectivity and Sensitivity of an Aerolysin Nanopore via Site-Directed Mutagenesis被引量：58收藏
- 作者：Wang, Ya-Qian Cao, Chan Ying, Yi-Lun Li, Shuang Wang, Ming-Bo Huang, Jin Long, Yi-Tao
- 机构：East China Univ Sci & Technol;East China Univ Sci & Technol;East China Univ Sci & Technol
- 来源：ACS SENSORS 2018
- 关键词：selectivity sensitivity single molecule aerolysin nanosensor
- 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
- Development of a new colorimetric assay for lipoxygenase activity被引量：48收藏
- 作者：Lu, Weiqiang Zhao, Xue Xu, Zhongyu Dong, Ningning Zou, Shien Shen, Xu Huang, Jin
- 机构：E China Univ Sci & Technol;Fudan Univ
- 来源：ANALYTICAL BIOCHEMISTRY 2013
- 关键词：Lipoxygenase Colorimetric assay Ferrithiocyanate Lipid hydroperoxides Inhibitors
- Design, Synthesis, X-ray Crystallographic Analysis, and Biological Evaluation of Thiazole Derivatives as Potent and Selective Inhibitors of Human Dihydroorotate Dehydrogenase被引量：47收藏
- 作者：Zhu, Junsheng Han, Le Diao, Yanyan Ren, Xiaoli Xu, Minghao Xu, Liuxin Li, Shiliang Li, Qiang Dong, Dong Huang, Jin Liu, Xiaofeng Zhao, Zhenjiang Wang, Rui Zhu, Lili Xu, Yufang Qian, Xuhong Li, Honglin
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol
- 来源：JOURNAL OF MEDICINAL CHEMISTRY 2015
- Discovery of Potent Ligands for Estrogen Receptor β by Structure-Based Virtual Screening被引量：44收藏
- 作者：Shen, Jie Tan, Chengfang Zhang, Yanyan Li, Xi Li, Weihua Huang, Jin Shen, Xu Tang, Yun
- 机构：E China Univ Sci & Technol;Chinese Acad Sci
- 来源：JOURNAL OF MEDICINAL CHEMISTRY 2010
- Design, synthesis and evaluation of diosgenin carbamate derivatives as multitarget anti-Alzheimer's disease agents被引量：44收藏
- 作者：Yang, Gui-Xiang Huang, Yan Zheng, Lu-Lu Zhang, Li Su, Lin Wu, Yu-Hang Li, Jie Zhou, Li-Cheng Huang, Jin Tang, Yun Wang, Rui Ma, Lei
- 机构：East China Univ Sci & Technol
- 来源：EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 2020
- 关键词：Alzheimer's disease Diosgenin Antioxidant Anti-inflammatory Anti-A beta activity Multi-target-directed ligands
- Deoxyelephantopin inhibits cancer cell proliferation and functions as a selective partial agonist against PPARγ被引量：43收藏
- 作者：Zou, Gang Gao, Zhenting Wang, Jidong Zhang, Yu Ding, Hong Huang, Jin Chen, Lili Guo, Yuewei Jiang, Hualiang Shen, Xu
- 机构：Chinese Acad Sci;E China Univ Sci & Technol
- 来源：BIOCHEMICAL PHARMACOLOGY 2008
- 关键词：deoxyelephantopin PPAR gamma partial agonist surface plasmon resonance molecular docking
- Design and synthesis of small molecular dual inhibitor of falcipain-2 and dihydrofolate reductase as antimalarial agent被引量：43收藏
- 作者：Huang, Huang Lu, Weiqiang Li, Xi Cong, Xiaoli Ma, Hongmei Liu, Xiaofeng Zhang, Yu Che, Peng Ma, Ruoqun Li, Honglin Shen, Xu Jiang, Hualiang Huang, Jin Zhu, Jin
- 机构：E China Univ Sci & Technol;Minsheng Pharma;Chinese Acad Sci
- 来源：BIOORGANIC & MEDICINAL CHEMISTRY LETTERS 2012
- 关键词：Falcipain-2 Dihydrofolate reductase Dual inhibitor Antimalarial drug SAR Molecular docking
- FXR antagonism of NSAIDs contributes to drug-induced liver injury identified by systems pharmacology approach被引量：42收藏
- 作者：Lu, Weiqiang Cheng, Feixiong Jiang, Jing Zhang, Chen Deng, Xiaokang Xu, Zhongyu Zou, Shien Shen, Xu Tang, Yun Huang, Jin
- 机构：E China Normal Univ;E China Normal Univ;E China Univ Sci & Technol;Fudan Univ;Shanghai Inst Mat Med
- 来源：SCIENTIFIC REPORTS 2015
- Shikonin is a novel and selectiveIMPDH2inhibitor that target triple-negative breast cancer被引量：41收藏
- 作者：Wang, Wanyan Wu, Yu Chen, Si Liu, Xi He, Jiacheng Wang, Shuyi Lu, Weiqiang Tang, Yong Huang, Jin
- 机构：East China Univ Sci & Technol;East China Normal Univ;East China Normal Univ;Guangxi Med Univ
- 来源：PHYTOTHERAPY RESEARCH 2021
- 关键词：guanine nucleotides IMPDH2 natural product shikonin triple-negative breast cancer
- Discovery of Diverse Human Dihydroorotate Dehydrogenase Inhibitors as Immunosuppressive Agents by Structure-Based Virtual Screening被引量：41收藏
- 作者：Diao, Yanyan Lu, Weiqiang Jin, Huangtao Zhu, Junsheng Han, Le Xu, Minghao Gao, Rui Shen, Xu Zhao, Zhenjiang Liu, Xiaofeng Xu, Yufang Huang, Jin Li, Honglin
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF MEDICINAL CHEMISTRY 2012
- Natural products as a gold mine for selective matrix metalloproteinases inhibitors被引量：40收藏
- 作者：Wang, Liyan Li, Xi Zhang, Shoude Lu, Weiqiang Liao, Sha Liu, Xiaofeng Shan, Lei Shen, Xu Jiang, Hualiang Zhang, Weidong Huang, Jin Li, Honglin
- 机构：Shanghai Jiao Tong Univ;E China Univ Sci & Technol;Second Mil Med Univ
- 来源：BIOORGANIC & MEDICINAL CHEMISTRY 2012
- 关键词：Matrix metalloproteinases Virtual screening Natural product Anticancer agent
- Discovery of Inhibitors To Block Interactions of HIV-1 Integrase with Human LEDGF/p75 via Structure-Based Virtual Screening and Bioassays被引量：37收藏
- 作者：Hu, Guoping Li, Xi Zhang, Xuan Li, Yaozong Ma, Lei Yang, Liu-Meng Liu, Guixia Li, Weihua Huang, Jin Shen, Xu Hu, Lihong Zheng, Yong-Tang Tang, Yun
- 机构：E China Univ Sci & Technol;Chinese Acad Sci;Chinese Acad Sci
- 来源：JOURNAL OF MEDICINAL CHEMISTRY 2012
- Caffeic acid phenethyl ester (CAPE), an active component of propolis, inhibits Helicobacter pylori peptide deformylase activity被引量：37收藏
- 作者：Cui, Kunqiang Lu, Weiqiang Zhu, Lili Shen, Xu Huang, Jin
- 机构：E China Univ Sci & Technol;Chinese Acad Sci
- 来源：BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 2013
- 关键词：Helicobacter pylori Peptide deformylase Propolis Phenolic compounds Caffeic acid phenethyl ester
- PPIA dictates NRF2 stability to promote lung cancer progression被引量：36收藏
- 作者：Lu, Weiqiang Cui, Jiayan Wang, Wanyan Hu, Qian Xue, Yun Liu, Xi Gong, Ting Lu, Yiping Ma, Hui Yang, Xinyu Feng, Bo Wang, Qi Zhang, Naixia Xu, Yechun Liu, Mingyao Nussinov, Ruth Cheng, Feixiong Ji, Hongbin Huang, Jin
- 机构：East China Univ Sci & Technol;East China Normal Univ;East China Normal Univ;Chinese Acad Sci;Univ Chinese Acad Sci
- 来源：NATURE COMMUNICATIONS 2024
- wSDTNBI: a novel network-based inference method for virtual screening被引量：36收藏
- 作者：Wu, Zengrui Ma, Hui Liu, Zehui Zheng, Lulu Yu, Zhuohang Cao, Shuying Fang, Wenqing Wu, Lili Li, Weihua Liu, Guixia Huang, Jin Tang, Yun
- 机构：East China Univ Sci & Technol
- 来源：CHEMICAL SCIENCE 2022
- 关键词：Carboxylic acids - Crystal structure - Tensors
- Moracin C, A Phenolic Compound Isolated from Artocarpus heterophyllus, Suppresses Lipopolysaccharide-Activated Inflammatory Responses in Murine Raw264.7 Macrophages被引量：34收藏
- 作者：Yao, Xue Wu, Dang Dong, Ningning Ouyang, Ping Pu, Jiaqian Hu, Qian Wang, Jingyuan Lu, Weiqiang Huang, Jin
- 机构：East China Univ Sci & Technol;East China Normal Univ;East China Normal Univ
- 来源：INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 2016
- 关键词：inflammation MAPKs Moracin C NF-kappa B phenols
- Drug Repurposing of Histone Deacetylase Inhibitors That Alleviate Neutrophilic Inflammation in Acute Lung Injury and Idiopathic Pulmonary Fibrosis via Inhibiting Leukotriene A4 Hydrolase and Blocking LTB4 Biosynthesis被引量：33收藏
- 作者：Lu, Weiqiang Yao, Xue Ouyang, Ping Dong, Ningnin Wu, Dang Jiang, Xingwu Wu, Zengrui Zhang, Chen Xu, Zhongyu Tang, Yun Zou, Shien Liu, Mingyao Li, Jian Zeng, Minghua Lin, Ping Cheng, Feixiong Huang, Jin
- 机构：East China Univ Sci & Technol;East China Normal Univ;East China Normal Univ;Fudan Univ;Guangxi Normal Univ
- 来源：JOURNAL OF MEDICINAL CHEMISTRY 2017
