药物化学；计算机辅助药物设计；结构生物学；核受体药物；表观遗传

   

100701-药物化学

药物分子设计与合成

2001-09--2004-07   中科院上海药物所   博士

研究生

博士研究生

   

2011-09~现在, 中科院广州生物医药与健康研究院, 研究员
2006-06~2011-08,美国Van Andel研究所, 博士后
2004-08~2006-05,中科院上海有机所, 博士后

2017-01-01-今,广东省药学会药物化学专业委员会, 委员
2016-01-01-今,广东省生物医药计算重点实验室学术委员会, 委员
2016-01-01-今,广东省生物医药计算重点实验室, 副主任
2013-01-01-今,广东省高性能计算学会, 副理事长

Prostate Cancer Fundation， 2017 PCF challenge award

（1） 广东省科学技术奖励, 二等奖, 省级, 2018

（ 1 ） 一种四氮唑类化合物及其应用, 发明专利, 2022, 第 3 作者, 专利号: CN114524776A

（ 2 ） 一种吲嗪类化合物的制备及应用, 发明专利, 2021, 第 1 作者, 专利号: CN113248499A

（ 3 ） 一种苯并五元氮杂环化合物及其应用, 发明专利, 2022, 第 1 作者, 专利号: CN113912563A

（ 4 ） 非人哺乳动物模型及其构建方法和应用, 发明专利, 2020, 第 1 作者, 专利号: CN112126659A

（ 5 ） 一种联苯胺类化合物及其应用, 发明专利, 2019, 第 1 作者, 专利号: CN109879784A

（ 6 ） 一种吲嗪类化合物及其制备方法和应用, 发明专利, 2020, 第 1 作者, 专利号: CN111320621A

（ 7 ） 一种苯并六元氮杂环化合物及其制备方法和应用, 发明专利, 2019, 第 1 作者, 专利号: CN110092782A

（ 8 ） 一种苯并d异恶唑类化合物及其制备方法和应用, 发明专利, 2019, 第 1 作者, 专利号: CN109111437A

（ 9 ） 一种苯并[d]异恶唑类化合物及其制备方法和应用, 2022, 第 1 作者, 专利号: CN109111437B

（ 10 ） 一种吲哚类化合物及其应用，一种药物组合物及其应用, 发明专利, 2019, 第 1 作者, 专利号: CN109111427A

（ 11 ） 四氢喹啉相关二环类化合物及其应用, 发明专利, 2017, 第 1 作者, 专利号: CN107021923A

（ 12 ） 四氢喹啉相关二环类化合物及其应用, 发明专利, 2022, 第 1 作者, 专利号: CN114790169A

（ 13 ） 2-oxo-1,2-dihydrobenzocdindole compound and use thereof, 发明专利, 2019, 第 1 作者, 专利号: US10183010(B2)

（ 14 ） 一类苯并d异恶唑类化合物及其应用, 发明专利, 2015, 第 1 作者, 专利号: CN105085427A

（ 15 ） N-苯基酰胺类化合物及其应用, 专利授权, 2016, 第 1 作者, 专利号: CN105272904A

（ 16 ） 一种2-氧代-1,2-二氢苯并cd吲哚类化合物, 发明专利, 2022, 第 1 作者, 专利号: CN111662226B

（ 17 ） 一种2-氧代-1,2-二氢苯并cd吲哚类化合物及其应用, 专利授权, 2016, 第 1 作者, 专利号: CN105985282A

（ 18 ） 2-氧代-1,2-二氢苯并cd吲哚-6-磺酰胺类化合物及其组合物和应用, 发明专利, 2015, 第 1 作者, 专利号: CN104530014A

（ 19 ） 嘧啶并二氮杂卓类化合物及其药用组合物和应用, 发明专利, 2013, 第 6 作者, 专利号: CN103374000A

   

[1] Journal of Medicinal Chemistry. 2024,   通讯作者  
[2] Journal of Medicinal Chemistry. 2024,   通讯作者  
[3] Su Yu, Yan Zhang, Jie Yang, Hongrui Xu, Suke Lan, Binyan Zhao, Meng Luo, Xinyu Ma, Hongjia Zhang, Shirui Wang, Hui Shen, Yan Zhang, Yong Xu, Rui Li. Discovery of (R)-4-(8-methoxy-2-methyl-1-(1-phenylethy)-1H-imidazo4,5-cquinnolin-7-yl)-3,5-dimethylisoxazole as a potent and selective BET inhibitor for treatment of acute myeloid leukemia (AML) guided by FEP calculation. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY[J]. 2024, 第 13 作者  通讯作者  263: http://dx.doi.org/10.1016/j.ejmech.2023.115924.
[4] Shiting Zhao, Abdelsalam S Ali, Xiaomin Liu, Zhiwei Yu, Xinyu Kong, Yan Zhang, G Paul Savage, Yong Xu, Bin Lin, Donghai Wu, Craig L Francis. 1,3-disubstituted-1,2,4-triazin-6-ones with potent activity against androgen receptor-dependent prostate cancer cells. BIOORGANIC & MEDICINAL CHEMISTRY[J]. 2024, 第 8 作者  通讯作者  101: http://dx.doi.org/10.1016/j.bmc.2024.117634.
[5] Xiang, Qiuping, Wu, Tianbang, Zhang, Cheng, Wang, Chao, Xu, Hongrui, Hu, Qingqing, Hu, Jiankang, Luo, Guolong, Zhuang, Xiaoxi, Wu, Xishan, Zhang, Yan, Xu, Yong. Discovery of a potent and selective CBP bromodomain inhibitor (Y08262) for treating acute myeloid leukemia. BIOORGANIC CHEMISTRY[J]. 2024, 第 12 作者  通讯作者  142: http://dx.doi.org/10.1016/j.bioorg.2023.106950.
[6] Acta Pharmacologica Sinica. 2024,   通讯作者  
[7] 卢志芳, 吴桐, 吴锡山, 李俊骅, 张岩, 刘洋, 翟鑫, 许永. 抗前列腺癌相关核受体及小分子药物研究进展. 药学进展[J]. 2023, 第 8 作者  通讯作者  47(8): 593-607, http://lib.cqvip.com/Qikan/Article/Detail?id=7110706453.
[8] Li, Junhua, Zhu, Run, Zhuang, Xiaoxi, Zhang, Cheng, Shen, Hui, Wu, Xishan, Zhang, Maofeng, Huang, Cen, Xiang, Qiuping, Zhao, Linxiang, Xu, Yong, Zhang, Yan. Rational design, synthesis and biological evaluation of benzodisoxazole derivatives as potent BET bivalent inhibitors for potential treatment of prostate cancer. BIOORGANIC CHEMISTRY[J]. 2023, 第 11 作者  通讯作者  135: http://dx.doi.org/10.1016/j.bioorg.2023.106495.
[9] Li, Qiu, Yao, Benqing, Zhao, Shiting, Lu, Zhou, Zhang, Yan, Xiang, Qiuping, Wu, Xishan, Yu, Haonan, Zhang, Cheng, Li, Junhua, Zhuang, Xiaoxi, Wu, Donghai, Li, Yong, Xu, Yong. Discovery of a Highly Selective and H435R-Sensitive ThyroidHormone Receptor?Agonist. JOURNAL OF MEDICINAL CHEMISTRY[J]. 2022, 第 14 作者  通讯作者  65(10): 7193-7211, 
[10] Xu, Hongrui, Luo, Guolong, Wu, Tianbang, Hu, Jiankang, Wang, Chao, Wu, Xishan, Zhang, Yan, Xu, Yong, Xiang, Qiuping. Structural insights revealed by the cocrystal structure of CCS1477 in complex with CBP bromodomain. BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS[J]. 2022, 第 8 作者  通讯作者  623: 17-22, http://dx.doi.org/10.1016/j.bbrc.2022.07.021.
[11] Xiang, Qiuping, Wang, Chao, Wu, Tianbang, Zhang, Cheng, Hu, Qingqing, Luo, Guolong, Hu, Jiankang, Zhuang, Xiaoxi, Zou, Lingjiao, Shen, Hui, Wu, Xishan, Zhang, Yan, Kong, Xiangqian, Liu, Jinsong, Xu, Yong. Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer. JOURNAL OF MEDICINAL CHEMISTRY[J]. 2022, 第 15 作者  通讯作者  65(1): 785-810, http://dx.doi.org/10.1021/acs.jmedchem.1c01864.
[12] Li, Qiu, Yao, Benqing, Zhao, Shiting, Lu, Zhou, Zhang, Yan, Xiang, Qiuping, Wu, Xishan, Yu, Haonan, Zhang, Cheng, Li, Junhua, Zhuang, Xiaoxi, Wu, Donghai, Li, Yong, Xu, Yong. Discovery of a Highly Selective and H435R-Sensitive ThyroidHormone Receptor?Agonist br. JOURNAL OF MEDICINAL CHEMISTRY[J]. 2022, 第 14 作者  通讯作者  65(10): 7193-7211, http://dx.doi.org/10.1021/acs.jmedchem.2c00144.
[13] Lu, Jibu, Huang, Yongjun, Huang, Jing, He, Rui, Huang, Minhao, Lu, Xiaoyun, Xu, Yong, Zhou, Fengtao, Zhang, Zhang, Ding, Ke. Discovery of the First Examples of Threonine Tyrosine Kinase PROTAC Degraders. JOURNAL OF MEDICINAL CHEMISTRY[J]. 2022, 第 7 作者65(3): 2313-2328, http://dx.doi.org/10.1021/acs.jmedchem.1c01768.
[14] Li, Junhua, Zhang, Cheng, Xu, Hongrui, Wang, Chao, Dong, Ruibo, Shen, Hui, Zhuang, Xiaoxi, Chen, Xiaoshan, Li, Qiu, Lu, Jibu, Zhang, Maofeng, Wu, Xishan, Loomes, Kerry M, Zhou, Yulai, Zhang, Yan, Liu, Jinsong, Xu, Yong. Structure-Based Discovery and Optimization of Furo3,2-cpyridin-4(5H)-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. JOURNAL OF MEDICINAL CHEMISTRY[J]. 2022, 第 17 作者  通讯作者  65(7): 5760-5799, http://dx.doi.org/10.1021/acs.jmedchem.2c00100.
[15] Dong, Ru, Zhang, Cheng, Wang, Chao, Zhou, Xin, Li, Wen, Zhang, JinYang, Wang, Min, Xu, Yong, Sun, LiPing. Design, synthesis and anticancer evaluation of 3-methyl-1H-indazole derivatives as novel selective bromodomain-containing protein 4 inhibitors. BIOORGANIC & MEDICINAL CHEMISTRY[J]. 2022, 第 8 作者  通讯作者  55: http://dx.doi.org/10.1016/j.bmc.2021.116592.
[16] Xiang, Qiuping, Luo, Guolong, Zhang, Cheng, Hu, Qingqing, Wang, Chao, Wu, Tianbang, Xu, Hongrui, Hu, Jiankang, Zhuang, Xiaoxi, Zhang, Maofeng, Wu, Shuang, Xu, Jinxin, Zhang, Yan, Liu, Jinsong, Xu, Yong. Discovery, optimization and evaluation of 1-(indolin-1-yl)ethan-1-ones as novel selective TRIM24/BRPF1 bromodomain inhibitors. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY[J]. 2022, 第 15 作者  通讯作者  236: http://dx.doi.org/10.1016/j.ejmech.2022.114311.
[17] Zhang, Maofeng, Luo, Xiaoyu, Zhang, Cheng, Wang, Chao, Wu, Xishan, Xiang, Qiuping, Xu, Yong, Zhang, Yan. Design, synthesis and pharmacological characterization of N-(3-ethylbenzodisoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia. ACTA PHARMACOLOGICA SINICA[J]. 2022, 第 7 作者  通讯作者  43(10): 2735-2748, http://dx.doi.org/10.1038/s41401-022-00881-y.
[18] Li, Wen, Zhang, Cheng, Zhang, Hongen, Dong, Ru, Liu, Jingying, Wang, Chunmeng, Wang, Min, Wang, Yuwei, Wang, Chao, Zhang, Yan, Shi, Lei, Xu, Yong, Sun, LiPing. Design, synthesis, and anticancer evaluation of ammosamide B with pyrroloquinoline derivatives as novel BRD4 inhibitors. BIOORGANIC CHEMISTRY[J]. 2022, 第 12 作者  通讯作者  127: http://dx.doi.org/10.1016/j.bioorg.2022.105917.
[19] Xishan Wu, Hui Shen, Yan Zhang, Chao Wang, Qiu Li, Cheng Zhang, Xiaoxi Zhuang, Chenchang Li, Yudan Shi, Yanli Xing, Qiuping Xiang, Jinxin Xu, Donghai Wu, Jinsong Liu, Yong Xu. Discovery and Characterization of Benzimidazole Derivative XY123 as a Potent, Selective, and Orally Available RORγ Inverse Agonist. J Med Chem[J]. 2021, 第 15 作者  通讯作者  
[20] Wu, Xishan, Shen, Hui, Zhang, Yan, Wang, Chao, Li, Qiu, Zhang, Cheng, Zhuang, Xiaoxi, Li, Chenchang, Shi, Yudan, Xing, Yanli, Xiang, Qiuping, Xu, Jinxin, Wu, Donghai, Liu, Jinsong, Xu, Yong. Discovery and Characterization of Benzimidazole Derivative XY123 as a Potent, Selective, and Orally Available ROR gamma Inverse Agonist. JOURNAL OF MEDICINAL CHEMISTRY[J]. 2021, 第 15 作者  通讯作者  64(12): 8775-8797, http://dx.doi.org/10.1021/acs.jmedchem.1c00763.
[21] Liu, Xiaomin, Zhang, Yuwei, Chu, Yi, Zhao, Xuemei, Mao, Liufeng, Zhao, Shiting, Lin, Shaoqiang, Hui, Xiaoyan, Gu, Ping, Xu, Yong, Loomes, Kerry, Tang, Shibing, Nie, Tao, Wu, Donghai. The natural compound rutaecarpine promotes white adipocyte browning through activation of the AMPK-PRDM16 axis. BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS[J]. 2021, 第 10 作者545: 189-194, http://dx.doi.org/10.1016/j.bbrc.2021.01.080.
[22] Huang, Minhao, Huang, Yongjun, Guo, Jing, Yu, Lei, Chang, Yu, Wang, Xiaolu, Luo, Jinfeng, Huang, Yanhui, Tu, Zhengchao, Lu, Xiaoyun, Xu, Yong, Zhang, Zhimin, Zhang, Zhang, Ding, Ke. Pyrido2, 3-dpyrimidin-7(8H)-ones as new selective orally bioavailable Threonine Tyrosine Kinase (TTK) inhibitors. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY[J]. 2021, 第 11 作者211: http://dx.doi.org/10.1016/j.ejmech.2020.113023.
[23] Wu, Tianbang, Xiang, Qiuping, Wang, Chao, Wu, Chun, Zhang, Cheng, Zhang, Maofeng, Liu, Zhaoxuan, Zhang, Yan, Xiao, Linjiu, Xu, Yong. Y06014 is a selective BET inhibitor for the treatment of prostate cancer. ACTA PHARMACOLOGICA SINICA[J]. 2021, 第 10 作者  通讯作者  42(12): 2120-2131, http://dx.doi.org/10.1038/s41401-021-00614-7.
[24] Xiang, Qiuping, Wang, Chao, Wu, Tianbang, Zhang, Cheng, Hu, Qingqing, Luo, Guolong, Hu, Jiankang, Zhuang, Xiaoxi, Zou, Lingjiao, Shen, Hui, Wu, Xishan, Zhang, Yan, Kong, Xiangqian, Liu, Jinsong, Xu, Yong. Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer. JOURNAL OF MEDICINAL CHEMISTRY. 2021, 第 15 作者  通讯作者  
[25] Zheng, Suqing, Xiong, Jun, Wang, Lei, Zhai, Dong, Xu, Yong, Lin, Fu. e-Graphene: A Computational Platform for the Prediction of Graphene-Based Drug Delivery System by Quantum Genetic Algorithm and Cascade Protocol. FRONTIERS IN CHEMISTRY[J]. 2021, 第 5 作者9: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8138207/.
[26] Mo, Cheng, Zhang, Zhang, Li, Yupeng, Huang, Minhao, Zou, Jian, Luo, Jinfeng, Tu, ZhengChao, Xu, Yong, Ren, Xiaomei, Ding, Ke, Lu, Xiaoyun. Design and Optimization of 3 '-(Imidazo1,2-alphapyrazin-3-yl)-1,1 '-biphenyl-3-carboxamides as Selective DDR1 Inhibitors. ACS MEDICINAL CHEMISTRY LETTERS[J]. 2020, 第 8 作者11(3): 379-384, 
[27] Zheng, Suqing, Xiong, Jun, Wang, Yibing, Liang, Guang, Xu, Yong, Lin, Fu. Quantitative Prediction of Hemolytic Toxicity for Small Molecules and Their Potential Hemolytic Fragments by Machine Learning and Recursive Fragmentation Methods. JOURNAL OF CHEMICAL INFORMATION AND MODELING[J]. 2020, 第 5 作者60(6): 3231-3245, http://dx.doi.org/10.1021/acs.jcim.0c00102.
[28] Zheng, Suqing, Wang, Yibing, Liu, Wenxin, Chang, Wenping, Liang, Guang, Xu, Yong, Lin, Fu. In Silico Prediction of Hemolytic Toxicity on the Human Erythrocytes for Small Molecules by Machine-Learning and Genetic Algorithm. JOURNAL OF MEDICINAL CHEMISTRY[J]. 2020, 第 6 作者63(12): 6499-6512, http://dx.doi.org/10.1021/acs.jmedchem.9b00853.
[29] Hu, Qingqing, Wang, Chao, Xiang, Qiuping, Wang, Rui, Zhang, Cheng, Zhang, Maofeng, Xue, Xiaoqian, Luo, Guolong, Liu, Xiaomin, Wu, Xishan, Zhang, Yan, Wu, Donghai, Xu, Yong. Discovery and optimization of novel N-benzyl-3,6-dimethylbenzo d isoxazol-5-amine derivatives as potent and selective TRIM24 bromodomain inhibitors with potential anti-cancer activities. BIOORGANIC CHEMISTRY[J]. 2020, 第 13 作者  通讯作者  94: http://dx.doi.org/10.1016/j.bioorg.2019.103424.
[30] Zheng, Suqing, Chang, Wenping, Xu, Wenxin, Xu, Yong, Lin, Fu. e-Sweet: A Machine-Learning Based Platform for the Prediction of Sweetener and Its Relative Sweetness. FRONTIERS IN CHEMISTRY[J]. 2019, 第 4 作者7: https://doaj.org/article/963ff945d436441eaf2199df580e0896.
[31] Zheng, Suqing, Wang, Yibing, Liu, Hongmei, Chang, Wenping, Xu, Yong, Lin, Fu. Prediction of Hemolytic Toxicity for Saponins by Machine-Learning Methods. CHEMICAL RESEARCH IN TOXICOLOGY[J]. 2019, 第 5 作者32(6): 1014-1026, http://dx.doi.org/10.1021/acs.chemrestox.8b00347.
[32] Peng, Lijie, Zhang, Zhensheng, Lei, Chong, Li, Shan, Zhang, Zhang, Ren, Xiaomei, Chang, Yu, Zhang, Yan, Xu, Yong, Ding, Ke. Identification of New Small Molecule Inducers of Estrogen-related Receptor alpha (ERR alpha) Degradation. ACS MEDICINAL CHEMISTRY LETTERS[J]. 2019, 第 9 作者10(5): 767-772, 
[33] Zou, Lingjiao, Xiang, Qiuping, Xue, Xiaoqian, Zhang, Cheng, Li, Chenchang, Wang, Chao, Li, Qiu, Wang, Rui, Wu, Shuang, Zhou, Yulai, Zhang, Yan, Xu, Yong. Y08197 is a novel and selective CBP/EP300 bromodomain inhibitor for the treatment of prostate cancer. ACTA PHARMACOLOGICA SINICA[J]. 2019, 第 12 作者  通讯作者  40(11): 1436-1447, http://lib.cqvip.com/Qikan/Article/Detail?id=7100537090.
[34] Zheng, Suqing, Chang, Wenping, Liu, Wenxin, Liang, Guang, Xu, Yong, Lin, Fu. Computational Prediction of a New ADMET Endpoint for Small Molecules: Anticommensal Effect on Human Gut Microbiota. JOURNAL OF CHEMICAL INFORMATION AND MODELING[J]. 2019, 第 5 作者59(3): 1215-1220, https://www.webofscience.com/wos/woscc/full-record/WOS:000462943700025.
[35] Zhang, Yan, Wu, Xishan, Xue, Xiaoqian, Li, Chenchang, Wang, Junjian, Wang, Rui, Zhang, Cheng, Wang, Chao, Shi, Yudan, Zou, Lingjiao, Li, Qiu, Huang, Zenghong, Hao, Xiaojuan, Loomes, Kerry, Wu, Donghai, Chen, HongWu, Xu, Jinxin, Xu, Yong. Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable ROR gamma Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer. JOURNAL OF MEDICINAL CHEMISTRY[J]. 2019, 第 18 作者  通讯作者  62(9): 4716-4730, http://dx.doi.org/10.1021/acs.jmedchem.9b00327.
[36] Wu, Xishan, Zhang, Yan, Xu, Yong. Discovery of the First Low Nanomolar Liver Receptor Homolog-1 (LRH-1) Agonist. JOURNAL OF MEDICINAL CHEMISTRY[J]. 2019, 第 3 作者  通讯作者  62(24): 11019-11021, https://www.webofscience.com/wos/woscc/full-record/WOS:000505633400005.
[37] Xiang, Qiuping, Wang, Chao, Zhang, Yan, Xue, Xiaoqian, Song, Ming, Zhang, Cheng, Li, Chenchang, Wu, Chun, Li, Kuai, Hui, Xiaoyan, Zhou, Yulai, Smaill, Jeff B, Patterson, Adam V, Wu, Donghai, Ding, Ke, Xu, Yong. Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as CBP/EP300 bromodomain inhibitors for the treatment of castration-resistant prostate cancer. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY[J]. 2018, 第 16 作者  通讯作者  147: 238-252, http://dx.doi.org/10.1016/j.ejmech.2018.01.087.
[38] Xue, Xiaoqian, Zhang, Yan, Wang, Chao, Zhang, Maofeng, Xiang, Qiuping, Wang, Junjian, Wang, Anhui, Li, Chenchang, Zhang, Cheng, Zou, Lingjiao, Wang, Rui, Wu, Shuang, Lu, Yongzhi, Chen, Hongwu, Ding, Ke, Li, Guohui, Xu, Yong. Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY[J]. 2018, 第 17 作者  通讯作者  152: 542-559, http://dx.doi.org/10.1016/j.ejmech.2018.04.034.
[39] Zhu, Dongsheng, Guo, Haijun, Chang, Yu, Ni, Yun, Li, Lin, Zhang, ZhiMin, Hao, Piliang, Xu, Yong, Ding, Ke, Li, Zhengqiu. Cell- and Tissue-Based Proteome Profiling and Dual Imaging of Apoptosis Markers with Probes Derived from Venetoclax and Idasanutlin. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION[J]. 2018, 第 8 作者57(30): 9284-9289, https://www.webofscience.com/wos/woscc/full-record/WOS:000438712600008.
[40] Zheng, Suqing, Jiang, Mengying, Zhao, Chengwei, Zhu, Rui, Hu, Zhicheng, Xu, Yong, Lin, Fu. e-Bitter: Bitterant Prediction by the Consensus Voting From the Machine-Learning Methods. FRONTIERS IN CHEMISTRY[J]. 2018, 第 6 作者6: https://doaj.org/article/5dc2e3ef6f544f9ca3f692c74c15cb36.
[41] Nie, Tao, Zhao, Shiting, Mao, Liufeng, Yang, Yiting, Sun, Wei, Lin, Xiaoliang, Liu, Shuo, Li, Kuai, Sun, Yirong, Li, Peng, Zhou, Zhiguang, Lin, Shaoqiang, Hui, Xiaoyan, Xu, Aimin, Ma, Chung Wah, Xu, Yong, Wang, Cunchuan, Dunbar, P Rod, Wu, Donghai. The natural compound, formononetin, extracted from Astragalus membranaceus increases adipocyte thermogenesis by modulating PPAR gamma activity. BRITISH JOURNAL OF PHARMACOLOGY[J]. 2018, 第 16 作者175(9): 1439-1450, http://dx.doi.org/10.1111/bph.14139.
[42] Zhang, Maofeng, Zhang, Yan, Song, Ming, Xue, Xiaoqian, Wang, Junjian, Wang, Chao, Zhang, Cheng, Li, Chenchang, Xiang, Qiuping, Zou, Lingjiao, Wu, Xishan, Wu, Chun, Dong, Baijun, Xue, Wei, Zhou, Yulai, Chen, Hongwu, Wu, Donghai, Ding, Ke, Xu, Yong. Structure-Based Discovery and Optimization of Benzo&ITd&ITisoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC). JOURNAL OF MEDICINAL CHEMISTRY[J]. 2018, 第 19 作者  通讯作者  61(7): 3037-3058, http://dx.doi.org/10.1021/acs.jmedchem.8b00103.
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[44] Xiang, Quping, Zhang, Yan, Li, Jiaguo, Xue, Xiaoqian, Wang, Chao, Song, Ming, Zhang, Cheng, Wang, Rui, Li, Chenchang, Wu, Chun, Zhou, Yulai, Yang, Xiaohong, Li, Guohui, Ding, Ke, Xu, Yong. Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer. ACS MEDICINAL CHEMISTRY LETTERS[J]. 2018, 第 15 作者  通讯作者  9(3): 262-267, http://cas-ir.dicp.ac.cn/handle/321008/168890.
[45] Xun, Qiuju, Zhang, Zhang, Luo, Jinfeng, Tong, Linjiang, Huang, Minhao, Wang, Zhen, Zou, Jian, Liu, Yingqiang, Xu, Yong, Xie, Hua, Tu, ZhengChao, Lu, Xiaoyun, Ding, Ke. Design, Synthesis, and Structure-Activity Relationship Study of 2-Oxo-3,4-dihydropyrimido4,5-dpyrimidines as New Colony Stimulating Factor 1 Receptor (CSF1R) Kinase Inhibitors. JOURNAL OF MEDICINAL CHEMISTRY[J]. 2018, 第 9 作者61(6): 2353-2371, http://www.corc.org.cn/handle/1471x/2172116.
[46] Li, Hong, Zhao, Lihua, Singh, Rani, Ham, J Nina, Fadoju, Doris O, Bean, Lora J H, Zhang, Yan, Xu, Yong, Xu, H Eric, Gambello, Michael J. The first pediatric case of glucagon receptor defect due to biallelic mutations in GCGR is identified by newborn screening of elevated arginine. MOLECULAR GENETICS AND METABOLISM REPORTS[J]. 2018, 第 8 作者17: 46-52, http://dx.doi.org/10.1016/j.ymgmr.2018.09.006.
[47] Yu, Lei, Huang, Minhao, Xu, Tianfeng, Tong, Linjiang, Yan, Xiaoe, Zhang, Zhang, Xu, Yong, Yun, Caihong, Xie, Hua, Ding, Ke, Lu, Xiaoyun. A structure-guided optimization of pyrido2,3-dpyrimidin-7-ones as selective inhibitors of EGFR(L858R/T790M) mutant with improved pharmacokinetic properties. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY[J]. 2017, 第 7 作者126: 1107-1117, http://dx.doi.org/10.1016/j.ejmech.2016.12.006.
[48] Zheng, Suqing, Xu, Shaofang, Wang, Guitao, Tang, Qing, Jiang, Xiaonan, Li, Zhanting, Xu, Yong, Wang, Renxiao, Lin, Fu. Proposed Hydrogen-Bonding Index of Donor or Acceptor Reflecting Its Intrinsic Contribution to Hydrogen-Bonding Strength. JOURNAL OF CHEMICAL INFORMATION AND MODELING[J]. 2017, 第 7 作者57(7): 1535-1547, http://dx.doi.org/10.1021/acs.jcim.7b00022.
[49] Mo, Cheng, Zhang, Zhang, Guise, Christopher P, Li, Xueqiang, Luo, Jinfeng, Tu, Zhengchao, Xu, Yong, Patterson, Adam V, Smaill, Jeff B, Ren, Xiaomei, Lu, Xiaoyun, Ding, Ke. 2-Aminopyrimidine Derivatives as New Selective Fibroblast Growth Factor Receptor 4 (FGFR4) Inhibitors. ACS MEDICINAL CHEMISTRY LETTERS[J]. 2017, 第 7 作者8(5): 543-548, https://www.webofscience.com/wos/woscc/full-record/WOS:000401402900014.
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（ 1 ） 院启动, 负责人, 研究所自主部署, 2011-09--2016-09
（ 2 ） KCNQ钾离子通道家族的结构与功能研究, 参与, 国家任务, 2013-01--2017-08
（ 3 ） 特异性RORγ拮抗剂的设计、合成和抗炎作用机制研究, 负责人, 国家任务, 2014-01--2017-12
（ 4 ） 靶向DDR的抗胰腺癌先导化合物的发现研究, 负责人, 中国科学院计划, 2016-01--2016-12
（ 5 ） 基于新作用机制的抗肿瘤FGFR抑制剂开发, 负责人, 其他国际合作项目, 2016-01--2017-12
（ 6 ） 特异性BET溴结构域抑制剂的设计、合成及抗肿瘤活性研究, 负责人, 国家任务, 2017-01--2020-12
（ 7 ） 生物医药服务社区建设, 参与, 国家任务, 2017-01--2020-12
（ 8 ） 克服临床耐药的新型抗肿瘤药物研究, 参与, 地方任务, 2015-08--2020-08
（ 9 ） 针对重大疾病的多组学大数据平台集成与应用, 参与, 地方任务, 2014-11--2017-12
（ 10 ） CBP溴结构域抑制剂作为个性化抗前列腺癌药物先导物的发现研究, 负责人, 中国科学院计划, 2018-01--2019-12
（ 11 ） 靶向核受体RORγ的抗前列腺癌先导化合物优化及作用机制研究, 负责人, 其他国际合作项目, 2018-12--2020-12
（ 12 ） 基于临床需求的前列腺癌靶标发现与确证技术体系建立及创新药物研究, 负责人, 中国科学院计划, 2020-01--2021-12
（ 13 ） 核受体RORγ拮抗剂的设计、优化及抗肿瘤机制研究, 负责人, 中国科学院计划, 2019-01--2021-12
（ 14 ） 靶向 RORγ 的小分子降解剂的设计、 合成及生物活性评价研究, 负责人, 国家任务, 2022-01--2025-12
（ 15 ） 前列腺癌的个性化药物研究, 负责人, 国家任务, 2020-12--2023-11
（ 16 ） 靶向核受体LRH-1的抗前列腺癌药物开发, 参与, 地方任务, 2023-01--2025-12
（ 17 ） 基于CRBN的分子胶降解剂的设计、合成及抗肿瘤活性研究, 负责人, 地方任务, 2024-01--2026-12

（1）表观遗传靶标CBP的降解剂发现研究   2023中国药物化学学术会议   2023-10-08
（2）前列腺癌治疗新策略   2023第二届中欧生命科学与医药创新会议   2023-09-15
（3）靶向 CBP 溴结构域的降解剂设计   中国化学会第17届全国计算（机）化学学术会议   2023-07-23
（4）强效CBP PROTAC降解剂的发现及抗肿瘤活性研 究   中国化学会第33届学术年会   2023-06-20

已指导学生

周洋  硕士研究生  078001-药物化学  

王蕊  硕士研究生  085216-化学工程  

向秋萍  硕士研究生  085216-化学工程  

薛晓纤  博士研究生  100701-药物化学  

张茂风  博士研究生  100701-药物化学  

胡清清  博士研究生  100701-药物化学  

向秋萍  博士研究生  100701-药物化学  

张岩  博士研究生  100701-药物化学  

寻秋菊  博士研究生  100701-药物化学  

莫程  博士研究生  100701-药物化学  

朱东盛  博士研究生  100701-药物化学  

黄敏浩  博士研究生  100701-药物化学  

李学强  博士研究生  100701-药物化学  

谈理  博士研究生  100701-药物化学  

余蕾  博士研究生  100701-药物化学  

崔圣阳  博士研究生  100701-药物化学  

邹龄娇  硕士研究生  078001-药物化学  

吴锡山  博士研究生  100701-药物化学  

卢吉布  博士研究生  100701-药物化学  

师语聃  硕士研究生  078001-药物化学  

黎秋  博士研究生  100701-药物化学  

罗国龙  博士研究生  100701-药物化学  

沈慧  博士研究生  100701-药物化学  

李俊骅  博士研究生  100701-药物化学  

陈晓珊  硕士研究生  078001-药物化学  

陈智铭  硕士研究生  078001-药物化学  

黄育敏  硕士研究生  078001-药物化学  

现指导学生

胡建康  博士研究生  100701-药物化学  

杜晓安  硕士研究生  086000-生物与医药  

高函函  硕士研究生  086000-生物与医药  

钟芷欣  硕士研究生  078001-药物化学  

陈晓珊  博士研究生  100701-药物化学  

罗小雨  博士研究生  100701-药物化学  

杜有为  硕士研究生  078001-药物化学  

杜如月  硕士研究生  071010-生物化学与分子生物学  

陈智铭  博士研究生  100701-药物化学  

鑫亚奇  硕士研究生  078001-药物化学