药物设计新方法发展及应用
81230076
2012
H3407.药物设计与药物信息
蒋华良
重点项目
研究员
中国科学院上海药物研究所
280万元
化学信息学;生物信息学;药物设计;结合动力学;蛋白质柔性
2013-01-01到2017-12-31
- 中英文摘要
- 结题摘要
- 结题报告
- 项目成果
- 项目参与人
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| 序号 | 标题 | 类型 | 作者 |
|---|---|---|---|
| 1 | Discovery and optimization of selective inhibitors of protein arginine methyltransferase 5 by docking-based virtual screening | 期刊论文 | Ye Yan;Zhang Bidong;Mao Ruifeng;Zhang Chenhua;Wang Yulan;Xing Jing;Liu Yu-Chih;Luo Xiaomin;Ding Hong;Yang Yaxi;Zhou Bing;Jiang Hualiang;Chen Kaixian;Luo Cheng;Zheng Mingyue |
| 2 | Rational design of a highly selective fluorescent sensor for L-histidine detection in aqueous solution | 期刊论文 | Qiao Yan;Chen Bin;Yang Yangyang;Wang Xin;Xu Yufang;Li Honglin |
| 3 | 苄基取代的苯胺类化合物及其应用 | 专利 | 李洪林;徐玉芳;赵振江;黄瑾;杨柳清;张媛;赵雪;梅寒冰;栾国琴 |
| 4 | An improved sequence based prediction protocol for DNA-binding proteins using SVM and comprehensive feature analysis | 期刊论文 | Zou Chuanxin;Gong Jiayu;Li Honglin |
| 5 | An Accurate Metalloprotein-Specific Scoring Function and Molecular Docking Program Devised by a Dynamic Sampling and Iteration Optimization Strategy | 期刊论文 | Bai Fang;Liao Sha;Gu Junfeng;Jiang Hualiang;Wang Xicheng;Li Honglin |
| 6 | Progress in Studies of Structure, Mechanism and Antagonists Interaction of GPCR Co-Receptors for HIV | 期刊论文 | Zhong Bing;Zhen Yunmei;Qin Guangrong;Yang Huaiyu;Jiang Hualiang;Chen Guanghui;Yu Kunqian |
| 7 | 作为布鲁顿酪氨酸激酶抑制剂的嘧啶并杂环化合物及其应用 | 专利 | 李洪林;丁健;徐玉芳;谢华;赵振江;陈海洋;刁妍妍 |
| 8 | 一种苯[g]杂芳基并[a,g]喹嗪类化合物的药物用途及其制备方法 | 专利 | 柳红;李佳;周圣斌;李静雅;王江;李建;段亚南;蒋华良;罗小民;陈凯先 |
| 9 | 一种吡唑并嘧啶化合物及其用途 | 专利 | 徐玉芳;赵振江;朱维平;李洪林;李鹏飞;李宝聚;石延霞;钱旭红 |
| 10 | TarPred: a web application for predicting therapeutic and side effect targets of chemical compounds | 期刊论文 | Liu Xian;Gao Yuan;Peng Jianlong;Xu Yuan;Wang Yulan;Zhou Nannan;Xing Jing;Luo Xiaomin;Jiang Hualiang;Zheng Mingyue |
| 11 | 2-氨基苯并噻唑衍生物作为DHODH抑制剂的应用 | 专利 | 李洪林;黄瑾;曹贤文;赵振江;刘丽;卢伟强;崔坤强;许鸣豪;韩乐;徐玉芳 |
| 12 | 苯基[a]吲哚[2,3-g]并喹嗪类化合物、其制备方法、药物组合物及其应用 | 专利 | 柳红;王逸平;赵飞;赵晶;王江;席聪;吴成林;沈昊;蒋华良;陈凯先 |
| 13 | 一种基于增强现实技术的3D分子交互对接系统及实现方法 | 专利 | 何高奇;李洪林;孙菲 |
| 14 | FTY720 Induces Apoptosis of M2 Subtype Acute Myeloid Leukemia Cells by Targeting Sphingolipid Metabolism and Increasing Endogenous Ceramide Levels | 期刊论文 | Chen Limin;Luo Liu-Fei;Lu Junyan;Li Lianchun;Liu Yuan-Fang;Wang Jiang;Liu Hong;Song Heng;Jiang Hualiang;Chen Sai-Juan;Luo Cheng;Li Keqin Kathy |
| 15 | Discovery of novel BRD4 inhibitors by high-throughput screening, crystallography, and cell-based assays | 期刊论文 | Sun Zhongya;Zhang Hao;Chen Zhifeng;Xie Yiqian;Jiang Hao;Chen Limin;Ding Hong;Zhang Yuanyuan;Jiang Hualiang;Zheng Mingyue;Luo Cheng |
| 16 | 新型噻唑类衍生物在治疗炎性肠病中的应用 | 专利 | 李洪林;赵振江;王蕊;徐玉芳;王婉琦;杨迎芳 |
| 17 | 一类氟取代的环状胺类化合物及其制备方法、药物组合物和用途 | 专利 | 柳红;章海燕;周宇;傅燕;蒋华良;唐希灿;陈凯先 |
| 18 | Repair of methyl lesions in RNA by oxidative demethylation | 期刊论文 | Ye Fei;Zhang Liyi;Jin Lu;Zheng Mingyue;Jiang Hualiang;Luo Cheng |
| 19 | 蝶啶酮衍生物作为FLT3抑制剂的应用 | 专利 | 李洪林;徐玉芳;陈卓;赵振江;吕剑昆;孙德恒;杨宇;周伟 |
| 20 | 第十三届中国青年科技奖 | 奖励 | 李洪林 |
| 21 | Discovery of Novel Disruptor of Silencing Telomeric 1-Like (DOTI L) Inhibitors using a Target-Specific Scoring Function for the (S)-Adenosyl-L-methionine (SAM)-Dependent Methyltransferase Family | 期刊论文 | Wang Yulan;Li Linjuan;Zhang Bidong;Xing Jing;Chen Shijie;Wan Wei;Song Yakai;Jiang Hao;Jiang Hualiang;Luo Cheng;Zheng Mingyue |
| 22 | 一类杂环化合物、其制备方法和用途 | 专利 | 蒋华良;王震;李剑峰;张容霞;何洋;柳永建;毕明浩;刘正;田广辉;陈伟铭;杨飞瀑;吴春晖;王瑜;蒋翔锐;尹敬敬;王贯;沈敬山 |
| 23 | Discovery of peptide inhibitors targeting human programmed death 1 (PD-1) receptor | 期刊论文 | Li Qiao;Quan Lina;Lyu Jiankun;He Zenghui;Wang Xia;Meng Jiajia;Zhao Zhenjiang;Zhu Lili;Liu Xiaofeng;Li Honglin |
| 24 | Discovery and Rational Design of Natural-Product-Derived 2-Phenyl-3,4-dihydro-2H-benzo[f]chromen-3-amine Analogs as Novel and Potent Dipeptidyl Peptidase 4 (DPP-4) Inhibitors for the Treatment of Type 2 Diabetes | 期刊论文 | Li Shiliang;Xu Hongling;Cui Shichao;Wu Fangshu;Zhang Youli;Su Mingbo;Gong Yinghui;Qiu Shaobing;Jiao Qian;Qin Chun;Shan Jiwei;Zhang Ming;Wang Jiawei;Yin Qiao;Xu Minghao;Liu Xiaofeng;Wang Rui;Zhu Lili;Li Jia;Xu Yufang;Jiang Hualiang;Zhao Zhenjiang;Li Jingya;Li Honglin |
| 25 | Discovery of pteridin-7(8H)-one-based Irreversible Inhibitors targeting Epidermal Growth Factor Receptor (EGFR) Kinase T790M/L858R mutant | 期刊论文 | Wei Zhou;Xiaofeng Liu;Zhengchao Tu;Lianwen Zhang;Xin Ku;Fang Bai;zhenjiang zhao;Yufang Xu;Ke Ding;Honglin Li |
| 26 | 作为DHODH抑制剂的噻唑衍生物及其应用(国际专利) | 专利 | 赵振江;黄瑾;李洪林;徐玉芳;朱丽丽;韩乐;许鸣豪;高瑞;刁妍妍;朱俊生;曹贤文;崔坤强 |
| 27 | 一种化合物的A晶型及其制备方法 | 专利 | 柳红;王江;李建;李佳;李静雅;周圣斌;苏明波;蒋华良;罗小民;陈凯先 |
| 28 | Biological evaluation of quinoline derivatives as inhibitors of human dihydroorotate dehydrogenase | 期刊论文 | Wang Jiawei;Diao Yanyan;Zhu Junsheng;Li Shiliang;Zhao Zhenjiang;Li Honglin;Zhu Lili |
| 29 | 作为FLT3抑制剂的蝶啶酮衍生物及应用 | 专利 | 李洪林;徐玉芳;陈卓;孙德恒;吕剑昆;赵振江;宋文琳;周伟;杨宇 |
| 30 | Potent, Selective, and Cell Active Protein Arginine Methyltransferase 5 (PRMT5) Inhibitor Developed by Structure-Based Virtual Screening and Hit Optimization | 期刊论文 | Mao Ruifeng;Shao Jingwei;Zhu Kongkai;Zhang Yuanyuan;Ding Hong;Zhang Chenhua;Shi Zhe;Jiang Hualiang;Sun Dequn;Duan Wenhu;Luo Cheng |
| 31 | Triazole and benzotrizaole derivatives as novel inhibitors for p90 ribosomal S6 protein kinase 2: synthesis, molecular docking and SAR analysis | 期刊论文 | Jun Yuan;Ye Zhong;Shiliang Li;Xue Zhao;Guoqin Luan;Zhenjiang Zhao;Jin Huang;Honglin Li;Yufang Xu |
| 32 | 芳基[a]吲哚[2,3-g]并喹嗪类化合物、其制备方法、药物组合物及其应用 | 专利 | 柳红;谢欣;郭涤亮;李静;张逸;陈颖;孙海丰;栗增;蒋华良;陈凯先 |
| 33 | Virtual screening and biological evaluation of novel small molecular inhibitors against protein arginine methyltransferase 1 (PRMT1) | 期刊论文 | Xie Yiqian;Zhou Ran;Lian Fulin;Liu Yan;Chen Limin;Shi Zhe;Zhang Naixia;Zheng Mingyue;Shen Bairong;Jiang Hualiang;Liang Zhongjie;Luo Cheng |
| 34 | A Genetic Algorithm Based Support Vector Machine Model for Blood-Brain Barrier Penetration Prediction | 期刊论文 | Zhang Daqing;Xiao Jianfeng;Zhou Nannan;Zheng Mingyue;Luo Xiaomin;Jiang Hualiang;Chen Kaixian |
| 35 | 五元杂环类化合物及其制备方法、药物组合物和用途 | 专利 | 罗成;姚志艺;乔刚;蒋华良;周宇;陈丽敏;刘静秋;丁宏 |
| 36 | Computational Models for Predicting Interactions with Membrane Transporters | 期刊论文 | Xu Y.;Shen Q.;Liu X.;Lu J.;Li S.;Luo C.;Gong L.;Luo X.;Zheng M.;Jiang H. |
| 37 | Mapping the Functional Binding Sites of Cholesterol in beta(2)-Adrenergic Receptor by Long-Time Molecular Dynamics Simulations | 期刊论文 | Cang Xiaohui;Du Yun;Mao Yanyan;Wang Yuanyuan;Yang Huaiyu;Jiang Hualiang |
| 38 | The gating charge pathway of an epilepsy-associated potassium channel accommodates chemical ligands | 期刊论文 | Li Ping;Chen Zhuxi;Xu Haiyan;Sun Haifeng;Li Hao;Liu Hong;Yang Huaiyu;Gao Zhaobing;Jiang Hualiang;Li Min |
| 39 | 苯磺酰胺类化合物及其用途 | 专利 | 李洪林;徐玉芳;赵振江;黄瑾;高瑞;王立言;张辰;朱伟龙;杨春梅 |
| 40 | 一种交互可视的药物辅助设计系统及实现方法 | 专利 | 李洪林;何高奇;魏文浩;王霞 |
| 41 | Synthesis and biological evaluation of pentanedioic acid derivatives as farnesyltransferase inhibitors | 期刊论文 | Yang Liuqing;Liu Wei;Mei Hanbing;Zhang Yuan;Yu Xiaojuan;Xu Yufang;Li Honglin;Huang Jin;Zhao Zhenjiang |
| 42 | Novel Drugs Targeting the Epigenome. | 期刊论文 | Zhuo Chen;Honglin Li |
| 43 | Identifying Novel Selective Non-Nucleoside DNA Methyltransferase 1 Inhibitors through Docking-Based Virtual Screening | 期刊论文 | Chen Shijie;Wang Yulan;Zhou Wen;Li Shanshan;Peng Jianlong;Shi Zhe;Hu Junchi;Liu Yu-Chih;Ding Hong;Lin Yijyun;Li Linjuan;Cheng Sufang;Liu Jingqiu;Lu Tao;Jiang Hualiang;Liu Bo;Zheng Mingyue;Luo Cheng |
| 44 | Optimization of heterocyclic substituted benzenesulfonamides as novel carbonic anhydrase IX inhibitors and their structure activity relationship | 期刊论文 | Gao Rui;Liao Sha;Zhang Chen;Zhu Weilong;Wang Liyan;Huang Jin;Zhao Zhenjiang;Li Honglin;Qian Xuhong;Xu Yufang |
| 45 | iDrug: a web-accessible and interactive drug discovery and design platform | 期刊论文 | Wang Xia;Chen Haipeng;Yang Feng;Gong Jiayu;Li Shiliang;Pei Jianfeng;Liu Xiaofeng;Jiang Hualiang;Lai Luhua;Li Honglin |
| 46 | Combinatorial Pharmacophore Modeling of Multidrug and Toxin Extrusion Transporter 1 Inhibitors: a Theoretical Perspective for Understanding Multiple Inhibitory Mechanisms | 期刊论文 | Xu Yuan;Liu Xian;Wang Yulan;Zhou Nannan;Peng Jianlong;Gong Likun;Ren Jing;Luo Cheng;Luo Xiaomin;Jiang Hualiang;Chen Kaixian;Zheng Mingyue |
| 47 | SimG: An Alignment Based Method for Evaluating the Similarity of Small Molecules and Binding Sites | 期刊论文 | Cai Chaoqian;Gong Jiayu;Liu Xiaofeng;Gao Daqi;Li Honglin |
| 48 | In silico ADME/T modelling for rational drug design | 期刊论文 | Wang Yulan;Xing Jing;Xu Yuan;Zhou Nannan;Peng Jianlong;Xiong Zhaoping;Liu Xian;Luo Xiaomin;Luo Cheng;Chen Kaixian;Zheng Mingyue;Jiang Hualiang |
| 49 | 作为BTK 抑制剂的杂环化合物及其应用 | 专利 | 李洪林;丁健;徐玉芳;谢华;赵振江;陈海洋;刁妍妍 |
| 50 | 作为DHODH抑制剂的噻唑衍生物及其应用 | 专利 | 赵振江;韩乐;许鸣豪;高瑞;黄瑾;刁妍妍;曹贤文;崔坤强;李洪林;徐玉芳 |
| 51 | Discovery of Diverse Human Dihydroorotate Dehydrogenase Inhibitors as Immunosuppressive Agents by Structure-Based Virtual Screening | 期刊论文 | 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 |
| 52 | 一种模拟配体分子与靶标受体反应并计算预测该反应的热力学与动力学参数的方法和系统 | 专利 | 蒋华良;王希诚;李洪林;白芳;谷俊峰;黄艺佳 |
| 53 | Combinatorial Pharmacophore Modeling of Organic Cation Transporter 2 (OCT2) Inhibitors: Insights into Multiple Inhibitory Mechanisms | 期刊论文 | Xu Yuan;Liu Xian;Li Shanshan;Zhou Nannan;Gong Likun;Luo Cheng;Luo Xiaomin;Zheng Mingyue;Jiang Hualiang;Chen Kaixian |
| 54 | Design, Synthesis, X-ray Crystallographic Analysis, and Biological Evaluation of Thiazole Derivatives as Potent and Selective Inhibitors of Human Dihydroorotate Dehydrogenase | 期刊论文 | 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 |
| 55 | 作为DHODH抑制剂的噻唑衍生物及其应用 | 专利 | 赵振江;黄瑾;李洪林;徐玉芳;朱丽丽;韩乐;许鸣豪;高瑞;刁妍妍;朱俊生;曹贤文;崔坤强 |
| 56 | Network modelling reveals the mechanism underlying colitis-associated colon cancer and identifies novel combinatorial anti-cancer targets | 期刊论文 | Lu Junyan;Zeng Hanlin;Liang Zhongjie;Chen Limin;Zhang Liyi;Zhang Hao;Liu Hong;Jiang Hualiang;Shen Bairong;Huang Ming;Geng Meiyu;Spiegel Sarah;Luo Cheng |
| 57 | Exploring the RING-Catalyzed Ubiquitin Transfer Mechanism by MD and QM/MM Calculations | 期刊论文 | Zhen Yunmei;Qin Guangrong;Luo Cheng;Jiang Hualiang;Yu Kunqian;Chen Guanghui |
| 58 | Substituted indolin-2-ones as p90 ribosomal S6 protein kinase 2 (RSK2) inhibitors: Molecular docking simulation and structure-activity relationship analysis | 期刊论文 | Zhong Ye;Xue Mengzhu;Zhao Xue;Yuan Jun;Liu Xiaofeng;Huang Jin;Zhao Zhenjiang;Li Honglin;Xu Yufang |
| 59 | 蝶啶酮衍生物及其作为EGFR、BLK、FLT3抑制剂的应用 | 专利 | 李洪林;徐玉芳;赵振江;刘晓峰;周伟;白芳;薛梦竹;张磊;张友利 |
| 60 | Molecular Similarity: Methods and Performance | 期刊论文 | Cai Chaoqian;Gong Jiayu;Liu Xiaofeng;Gao Daqi;Li Honglin |
| 61 | Isoindole-1,3-dione derivatives as RSK2 inhibitors: synthesis, molecular docking simulation and SAR analysis | 期刊论文 | Zhou Wei;Li Shiliang;Lu Weiqiang;Yuan Jun;Xu Yufang;Li Honglin;Huang Jin;Zhao Zhenjiang |
| 62 | Discovery of novel trimethoxy-ring BRD4 bromodomain inhibitors: AlphaScreen assay, crystallography and cell-based assay | 期刊论文 | Chen Zhifeng;Zhang Hao;Liu Shien;Xie Yiqian;Jiang Hao;Lu Wenchao;Xu Heng;Yue Liyan;Zhang Yuanyuan;Ding Hong;Zheng Mingyue;Yu Kunqian;Chen Kaixian;Jiang Hualiang;Luo Cheng |
| 63 | 2-亚胺-5-酮基-2,5-二氢-1-H-二吡啶并[3,4-c:1',2'-f]嘧啶类化合物合成及其用途 | 专利 | 杨财广;刘江;罗成;郭中强;巩守哲;李家飞;郑桐;蒋华良 |
| 64 | Discovery and Rational Design of Pteridin-7(8H)-one-Based Inhibitors Targeting FMS-like Tyrosine Kinase 3 (FLT3) and Its Mutants | 期刊论文 | Deheng Sun;Yu Yang;Jian kun Lyu;Wei Zhou;Wenlin Song;Zhenjiang Zhao;Zhuo Chen;Yufang Xu;Honglin Li |
| 65 | c-MET kinase inhibitors: a patent review (2011-2013) | 期刊论文 | Zhu Kongkai;Kong Xiangqian;Zhao Dan;Liang Zhongjie;Luo Cheng |
| 66 | 苯并咪唑、噁唑和噻唑衍生物的合成及其应用 | 专利 | 李洪林;赵振江;刘晓峰;黄瑾;徐玉芳;薛梦竹;袁俊;崔雷;曹贤文;吴彬;韩乐 |
| 67 | 一种杂环化合物及其用途 | 专利 | 徐玉芳;赵振江;朱维平;李洪林;杜青山;李宝聚;石延霞;钱旭红 |
| 68 | Migration of PIP2 lipids on voltagegated potassium channel surface influences channel deactivation | 期刊论文 | Liping Chen;Qiansen Zhang;Yunguang Qiu;Zanyuan Li;Zhuxi Chen;Hualiang Jiang;Yang Li;HuaiyuYang |
| 69 | 取代的酰肼类化合物及其制备方法、药物组合物和用途 | 专利 | 朱维良;曾步斌;王贺瑶;闫桂蕊;黄贤贵;徐志建;罗成;张奇军;王改红;杨卓;张小东;李波;徐炜均;罗小民;蒋华良;陈凯先 |
| 70 | 一类氟取代的环丙胺类化合物及其制备方法、药物组合物和用途(LSD1) | 专利 | 柳红;李佳;王江;苏明波;王姝妮;周宇波;朱未;徐威;李淳朴;蒋华良;陈凯先 |
| 71 | 苯并吡唑联吡啶类化合物、包含此类化合物的药物组合物及其用途 | 专利 | 柳红;耿美玉;朱未;黄敏;陈先杰;刘红椿;何玉龙;李淳朴;丁健;蒋华良;陈凯先 |
| 72 | 一类含氟三氮唑并吡啶类化合物及其制备方法、药物组合物和用途 | 专利 | 柳红;周宇;夏文静;张冬;蒋华良;陈凯先 |
| 73 | Discovery of two aminoglycoside antibiotics as inhibitors targeting the menin-mixed lineage leukaemia interface | 期刊论文 | Li Lianchun;Zhou Ran;Geng Heji;Yue Liyan;Ye Fei;Xie Yiqian;Liu Jingqiu;Kong Xiangqian;Jiang Hualiang;Huang Jiandong;Luo Cheng |
| 74 | 噻唑类衍生物及其在抑制二氢乳清酸脱氢酶中的应用 | 专利 | 李洪林;徐玉芳;赵振江;宋文琳;李诗良;王佳炜;全丽娜;徐刘昕;王蕊;朱丽丽 |
| 75 | Discovery and Optimization of Novel, Selective Histone Methyltransferase SET7 Inhibitors by Pharmacophore- and Docking-Based Virtual Screening | 期刊论文 | Meng Fanwang;Cheng Sufang;Ding Hong;Liu Shien;Liu Yan;Zhu Kongkai;Chen Shijie;Lu Junyan;Xie Yiqian;Li Linjuan;Liu Rongfeng;Shi Zhe;Zhou Yu;Liu Yu-Chih;Zheng Mingyue;Jiang Hualiang;Lu Wencong;Liu Hong;Luo Cheng |
| 76 | Structure of the full-length glucagon class B G-protein-coupled receptor | 期刊论文 | Zhang Haonan;Qiao Anna;Yang Dehua;Yang Linlin;Dai Antao;De Graaf Chris;Reedtz-Runge Steffen;Dharmarajan Venkatasubramanian;Zhang Hui;Han Gye Won;Grant Thomas D.;Sierra Raymond G.;Weierstall Uwe;Nelson Garrett;Liu Wei;Wu Yanhong;Ma Limin;Cai Xiaoqing;Lin Guangyao;Wu Xiaoai;Geng Zhi;Dong Yuhui;Song Gaojie;Griffin Patrick R.;Lau Jesper;Chrezov Vadim;Yang Huaiyu;Hanson Michael A.;Stevens Raymond C.;Zhao Qiang;Jiang Hualiang... |
| 77 | 2,4-二取代噻唑类衍生物作为DHODH抑制剂的应用 | 专利 | 李洪林;刁妍妍;黄瑾;赵振江;崔坤强;卢伟强;许鸣豪;韩乐;徐玉芳 |
| 78 | 5-芳香炔基取代的苯甲酰胺类化合物及其制备方法、药物组合物和用途 | 专利 | 柳红;周宇;张冬;李建;蒋华良;陈凯先 |
| 79 | Antiinfective therapy with a small molecule inhibitor of Staphylococcus aureus sortase | 期刊论文 | Zhang Jie;Liu Hongchuan;Zhu Kongkai;Gong Shouzhe;Dramsi Shaynoor;Wang Ya-Ting;Li Jiafei;Chen Feifei;Zhang Ruihan;Zhou Lu;Lan Lefu;Jiang Hualiang;Schneewind Olaf;Luo Cheng;Yang Cai-Guang |
| 80 | Discovery of novel inhibitors for human farnesyltransferase (hFTase) via structure-based virtual screening | 期刊论文 | Yu Xiaojuan;Zhao Xue;Zhu Lili;Zou Chuanxin;Liu Xiaofeng;Zhao Zhenjiang;Huang Jin;Li Honglin |
| 81 | 作为DHODH抑制剂的五元二氢杂环酮类衍生物及应用(国际专利) | 专利 | 李洪林;赵振江;黄瑾;徐玉芳;许鸣豪;刁妍妍;周洪昌;金黄涛;高瑞;朱俊生 |
| 82 | 噻唑类衍生物及其应用 | 专利 | 李洪林;徐玉芳;王蕊;赵振江;宋文琳;徐刘昕 |
| 83 | Metadynamics Simulation Study on the Conformational Transformation of HhaI Methyltransferase: An Induced-Fit Base-Flipping Hypothesis | 期刊论文 | Jin Lu;Ye Fei;Zhao Dan;Chen Shijie;Zhu Kongkai;Zheng Mingyue;Jiang Ren-Wang;Jiang Hualiang;Luo Cheng |
| 84 | 科技部“中青年科技创新领军人才” | 奖励 | 李洪林 |
| 85 | Catalytic Mechanism of Histone Acetyltransferase p300: From the Proton Transfer to Acetylation Reaction | 期刊论文 | Zhang Xinlei;Ouyang Sisheng;Kong Xiangqian;Liang Zhongjie;Lu Junyan;Zhu Kongkai;Zhao Dan;Zheng Mingyue;Jiang Hualiang;Liu Xin;Marmorstein Ronen;Luo Cheng |
| 86 | Mechanism of the All-alpha to All-beta Conformational Transition of RfaH-CTD: Molecular Dynamics Simulation and Markov State Model | 期刊论文 | Li Shanshan;Xiong Bing;Xu Yuan;Lu Tao;Luo Xiaomin;Luo Cheng;Shen Jingkang;Chen Kaixian;Zheng Mingyue;Jiang Hualiang |
| 87 | In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion | 期刊论文 | Liu Xian;Xu Yuan;Li Shanshan;Wang Yulan;Peng Jianlong;Luo Cheng;Luo Xiaomin;Zheng Mingyue;Chen Kaixian;Jiang Hualiang |
| 88 | PTID: an integrated web resource and computational tool for agrochemical discovery | 期刊论文 | Gong Jiayu;Liu Xiaofeng;Cao Xianwen;Diao Yanyan;Gao Daqi;Li Honglin;Qian Xuhong |
| 89 | 一种DPPIV抑制剂的盐型及其制备方法 | 专利 | 柳红;王江;李建;李佳;李静雅;蒋华良;罗小民;陈凯先 |
| 90 | ChemMapper: a versatile web server for exploring pharmacology and chemical structure association based on molecular 3D similarity method | 期刊论文 | Gong Jiayu;Cai Chaoqian;Liu Xiaofeng;Ku Xin;Jiang Hualiang;Gao Daqi;Li Honglin |
| 91 | 第十七届中国药学会-施维雅青年药物化学奖 | 奖励 | 郑明月 |
| 92 | Discovery of non-peptide inhibitors of Plasmepsin II by structure-based virtual screening | 期刊论文 | Song Yuwei;Jin Huangtao;Liu Xiaofeng;Zhu Lili;Huang Jin;Li Honglin |
| 93 | Are Topological Properties of Drug Targets Based on Protein-Protein Interaction Network Ready to Predict Potential Drug Targets? | 期刊论文 | Li Shiliang;Yu Xiaojuan;Zou Chuanxin;Gong Jiayu;Liu Xiaofeng;Li Honglin |
| 94 | Computational methods for drug design and discovery: focus on China | 期刊论文 | Zheng Mingyue;Liu Xian;Xu Yuan;Li Honglin;Luo Cheng;Jiang Hualiang |
| 95 | Structure-Guided Design of C4-alkyl-1,4-dihydro-2H-pyrimido[4,5-d][1,3]oxazin-2-ones as Potent and Mutant-Selective Epidermal Growth Factor Receptor (EGFR) L858R/T790M Inhibitors | 期刊论文 | Hao Yongjia;Lyu Jiankun;Qu Rong;Sun Deheng;Zhao Zhenjiang;Chen Zhuo;Ding Jian;Xie Hua;Xu Yufang;Li Honglin |
| 96 | 作为EGFR抑制剂的嘧啶并嘧啶二酮衍生物及其应用 | 专利 | 李洪林;徐玉芳;谢华;赵振江;郝永佳;王霞;丁健 |
| 97 | 作为EGFR抑制剂的嘧啶并[4,5-d][1,3]噁嗪-2-酮衍生物及其应用 | 专利 | 李洪林;徐玉芳;谢华;郝永佳;陈卓;孙德恒;吕剑昆;徐玉琼;童依;陈海洋;赵振江;丁健 |
| 98 | 作为DHODH抑制剂的五元二氢杂环酮类衍生物及应用 | 专利 | 李洪林;赵振江;黄瑾;徐玉芳;许鸣豪;刁妍妍;周洪昌;金黄涛;高瑞;朱俊生 |
| 99 | Quantum Chemistry Calculation-Aided Structural Optimization of Combretastatin A-4-like Tubulin Polymerization Inhibitors: Improved Stability and Biological Activity | 期刊论文 | Jiang Junhang;Zheng Canhui;Zhu Kongkai;Liu Jia;Sun Nannan;Wang Chongqing;Jiang Hualiang;Zhu Ju;Luo Cheng;Zhou Youjun |
| 100 | HeterocyclischeDihydro-Fünfring-Ketonderivateals DHODH-Inhibitor und ihreVerwendung | 专利 | Honglin Li;Zhenjiang Zhao;Jin Huang;Yufang Xu;Minghao Xu;YanyanDiao;Hongchang Zhou;Huangtao Jin;Rui Gao;Junsheng Zhu |
| 101 | Elucidating the druggable interface of protein-protein interactions using fragment docking and coevolutionary analysis | 期刊论文 | Bai Fang;Morcos Faruck;Cheng Ryan R.;Jiang Hualiang;Onuchic Jose N. |
| 102 | 3,4,5-三取代吡唑类化合物、制备方法、药物组合物及用途 | 专利 | 柳红;王明伟;王江;杨德华;阳怀宇;舒双杰;冯杨;王斌;蒋华良;陈凯先 |
| 103 | 一种C,O-螺环芳基糖苷类化合物及其制备和应用 | 专利 | 柳红;李佳;王江;李静雅;陈辉;李丹;李建;蒋华良;陈凯先 |
| 104 | 二氢噻吩酮衍生物作为pfDHODH抑制剂的合成及应用 | 专利 | 李洪林;赵振江;黄瑾;徐玉芳;许鸣豪;刁妍妍;金黄涛;高瑞 |
| 105 | Applying high-performance computing in drug discovery and molecular simulation | 期刊论文 | Liu Tingting;Lu Dong;Zhang Hao;Zheng Mingyue;Yang Huaiyu;Xu Yechun;Luo Cheng;Zhu Weiliang;Yu Kunqian;Jiang Hualiang |
| 106 | 2-((2-(3-氨基哌啶-1)-4-氧噻吩[3,2-d]嘧啶-3(4H)-甲基)苯甲腈多晶型体、其制备方法及其药理用途 | 专利 | 柳红;李佳;王江;李静雅;李建;周圣斌;苏明波;蒋华良;罗小民;陈凯先 |
| 107 | 反吲哚啉环丙胺类化合物及其制备方法、药物组合物和用途 | 专利 | 柳红;李佳;朱未;周宇波;王江;苏明波;王姝妮;徐威;李淳朴;阚伟娟;蒋华良;陈凯先 |
| 108 | Conformation and dynamics of the C-terminal region in human phosphoglycerate mutase 1 | 期刊论文 | Shi-en LIU;Jun-chi HU;Hao ZHANG;Pan XU;Wei WAN;Ming-yue ZHENG;Kun-qian YU;Hong DING;Hualiang JIANG;Lu ZHOU;Cheng LUO |
| 109 | Antiproliferative and apoptosis-inducing activities of novel naphthalimide-cyclam conjugates through dual topoisomerase (topo) I/II inhibition | 期刊论文 | Tan Shaoying;Sun Deheng;Lyu Jiankun;Sun Xiao;Wu Fangshu;Li Qiang;Yang Yiqi;Liu Jianxu;Wang Xin;Chen Zhuo;Li Honglin;Qian Xuhong;Xu Yufang |
| 110 | Discovery and Structural Optimization of N5-Substituted 6,7-Dioxo-6,7-dihydropteridines as Potent and Selective Epidermal Growth Factor Receptor (EGFR) Inhibitors against L858R/T790M Resistance Mutation | 期刊论文 | Hao Yongjia;Wang Xia;Zhang Tao;Sun Deheng;Tong Yi;Xu Yuqiong;Chen Haiyang;Tong Linjiang;Zhu Lili;Zhao Zhenjiang;Chen Zhuo;Ding Jian;Xie Hua;Xu Yufang;Li Honglin |
| 111 | Jatropholane-Type Diterpenes from Euphorbia sikkimensis | 期刊论文 | Yang Da-Song;Zhang You-Li;Peng Wei-Bing;Wang Li-Yan;Li Zi-Lei;Wang Xue;Liu Ke-Chun;Yang Yong-Ping;Li Hong-Lin;Li Xiao-Li |
| 112 | A Rapid Python-Based Methodology for Target-Focused Combinatorial Library Design | 期刊论文 | Li Shiliang;Song Yuwei;Liu Xiaofeng;Li Honglin |
| 113 | Novel Selective and Potent Inhibitors of Malaria Parasite Dihydroorotate Dehydrogenase: Discovery and Optimization of Dihydrothiophenone Derivatives | 期刊论文 | Xu Minghao;Zhu Junsheng;Diao Yanyan;Zhou Hongchang;Ren Xiaoli;Sun Deheng;Huang Jin;Han Dongmei;Zhao Zhenjiang;Zhu Lili;Xu Yufang;Li Honglin |
| 114 | 噻吩[3,2-d]并嘧啶-4-酮类化合物、其制备方法、药物组合物及用途 | 专利 | 柳红;李佳;李建;李静雅;王江;苏明波;连捷;蒋华良;陈凯先 |
| 115 | 中组部“万人计划”青年拔尖人才 | 奖励 | 李洪林 |
| 116 | Cholesterol-b1AR interaction versus cholesterol-b2AR interaction | 期刊论文 | Xiaohui Cang;Linlin Yang;Jing Yang;Cheng Luo;Mingyue Zheng;Kunqian Yu;Huaiyu Yang;Hualiang Jiang |
| 117 | Accurate prediction of RNA-binding protein residues with two discriminative structural descriptors | 期刊论文 | Sun Meijian;Wang Xia;Zou Chuanxin;He Zenghui;Liu Wei;Li Honglin |
| 118 | Free energy landscape for the binding process of Huperzine A to acetylcholinesterase | 期刊论文 | Bai Fang;Xu Yechun;Chen Jing;Liu Qiufeng;Gu Junfeng;Wang Xicheng;Ma Jianpeng;Li Honglin;Onuchic Jose N.;Jiang Hualiang |
| 119 | Structure-based design of potent human dihydroorotate dehydrogenase inhibitors as anticancer agents | 期刊论文 | Song Wenlin;Li Shiliang;Tong Yi;Wang Jiawei;Quan Lina;Chen Zhuo;Zhao Zhenjiang;Xu Yufang;Zhu Lili;Qian Xuhong;Li Honglin |
| 120 | Structural Determinants of Binding the Seven-transmembrane Domain of the Glucagon-like Peptide-1 Receptor (GLP-1R) | 期刊论文 | Yang Dehua;de Graaf Chris;Yang Linlin;Song Gaojie;Dai Antao;Cai Xiaoqing;Feng Yang;Reedtz-Runge Steffen;Hanson Michael A.;Yang Huaiyu;Jiang Hualiang;Stevens Raymond C.;Wang Ming-Wei |
| 121 | Identification of Novel Disruptor of Telomeric Silencing 1-like (DOT1L) Inhibitors through Structure-Based Virtual Screening and Biological Assays | 期刊论文 | Chen Shijie;Li Linjuan;Chen Yantao;Hu Junchi;Liu Jingqiu;Liu Yu-Chih;Liu Rongfeng;Zhang Yuanyuan;Meng Fanwang;Zhu Kongkai;Lu Junyan;Zheng Mingyue;Chen Kaixian;Zhang Jin;Jiang Hualiang;Yao Zhiyi;Luo Cheng |
| 122 | 一种DPPIV抑制剂的马来酸盐的多晶型及其制备方法 | 专利 | 柳红;王江;李建;李佳;李静雅;蒋华良;罗小民;陈凯先 |
| 123 | 作为EGFR抑制剂的嘧啶并嘧啶二酮衍生物及其应用 | 专利 | 李洪林;徐玉芳;谢华;赵振江;郝永佳;王霞;丁健 |
| 124 | Rational Design of Benzylidenehydrazinyl-Substituted Thiazole Derivatives as Potent Inhibitors of Human Dihydroorotate Dehydrogenase with in Vivo Anti-arthritic Activity | 期刊论文 | Li Shiliang;Luan Guoqin;Ren Xiaoli;Song Wenlin;Xu Liuxin;Xu Minghao;Zhu Junsheng;Dong Dong;Diao Yanyan;Liu Xiaofeng;Zhu Lili;Wang Rui;Zhao Zhenjiang;Xu Yufang;Li Honglin |
| 125 | In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion | 期刊论文 | Liu Xian;Xu Yuan;Li Shanshan;Wang Yulan;Peng Jianlong;Luo Cheng;Luo Xiaomin;Zheng Mingyue;Chen Kaixian;Jiang Hualiang |
| 126 | 2-((2-(3-氨基哌啶-1)-4-氧噻吩[3,2-d]嘧啶-3(4H)-甲基)苯甲腈多晶型体、其制备方法及其药理用途 | 专利 | 柳红;李佳;王江;李静雅;李建;周圣斌;苏明波;蒋华良;罗小民;陈凯先 |
| 127 | 噻吩[3,2-d]并嘧啶-4-酮类化合物、其制备方法、药物组合物及用途 | 专利 | 柳红;李佳;李建;李静雅;王江;苏明波;连捷;蒋华良;陈凯先 |
| 128 | Identification of Novel Disruptor of Telomeric Silencing 1-like (DOT1L) Inhibitors through Structure-Based Virtual Screening and Biological Assays | 期刊论文 | Chen Shijie;Li Linjuan;Chen Yantao;Hu Junchi;Liu Jingqiu;Liu Yu-Chih;Liu Rongfeng;Zhang Yuanyuan;Meng Fanwang;Zhu Kongkai;Lu Junyan;Zheng Mingyue;Chen Kaixian;Zhang Jin;Jiang Hualiang;Yao Zhiyi;Luo Cheng |
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