生物医药

综合运用药物分子设计、药物化学、结构生物学、计算生物学和药理学等多学科交叉策略，开展针对恶性肿瘤等疾病的新药物靶标发现与确证、药物作用机制研究以及创新药物开发研究。

1. Qiu Li#, Benqiang Yao#, Shiting Zhao, Zhou Lu, Yan Zhang, Qiuping Xiang, Xishan Wu, Haonan Yu, Cheng Zhang, Junhua Li, Xiaoxi Zhuang, Donghai Wu, Yong Li, Yong Xu. Discovery of a Highly Selective and H435R Sensitive Thyroid Hormone Receptor Agonist.
J Med Chem. 2022 May 4. Doi: 10.1021/acs.jmedchem.2c00144.
2. Li J#, Zhang C#, Xu H, Wang C, Dong R, Shen H, Zhuang X, Chen X, Li Q, Lu J, Zhang M, Wu X, Loomes KM, Zhou Y, Zhang Y, Liu J, Xu Y. Structure- Based Discovery and Optimization of Furo[3,2-c]pyridin-4(5H)-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J Med Chem.2022, 65, 5760-5799.
3. Xiang Q, Wang C, Wu T, Zhang C, Hu Q, Luo G, Hu J, Zhuang X, Zou L, Shen H, Wu X, Zhang Y, Kong X, Liu J, Xu Y. Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-yl)ethan-1-ones as CBP Bromodomain Inhibitors for the Treatment of Prostate Cancer.
J Med Chem. 2022, 65, 785-810
4. Wu X#, Shen H#, Zhang Y#, Wang C, Li Q, Zhang C, Zhuang X, Li C, Shi Y, Xing Y, Xiang Q, Wu D, Liu J, Xu Y*. Discovery and characterization of benzimidazole derivative XY123 as a selective, and orally available ROR inverse agonist.
J Med Chem. 2021, 64, 8775-8797
5. Wu X, Zhang Y, Xu Y*. Discovery of the First Low Nanomolar Liver Receptor Homolog-1 (LRH-1) Agonist.
J Med Chem. 2019, 62, 11019-11021
6. Zhang Y#, Wu X#, Xue X#, Li C, Wang J, Wang R, Zhang C, Wang C, Shi Y, Zou L, Li Q, Huang Z, Hao X, Loomes K, Wu D, Chen HW, Xu J, Xu Y*. Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable ROR Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer.
J Med Chem. 2019, 62, 4716-4730
7. Zhang M#, Zhang Y#, Song M#, Xue X, Wang J, Wang C, Zhang C, Li C, Xiang Q, Wu X, Wu C, Dong B, Xue We, Zhou Y, Chen H, Wu D, Ding K, Xu Y*. Structure-Based Discovery and Optimization of Benzo[d]isoxazole Derivatives as Potent and Selective BET Inhibitors as Potential Treatment for Castration-Resistant Prostate Cancer (CRPC).
J Med Chem, 2018. 61, 3037-3058
8. Wang, J.; Zou, J.X.; Xue, X.; Cai, D.; Zhang, Y.; Duan, Z.; Xiang, Q.; Yang, J.C.; Louie, M.C.; Borowsky, A.D.; Gao, A.C,; Evans, C.P.; Lam, K.S.; Xu, J.; Kung, H.J.; Evans, R.M.; Xu, Y.*; Chen, H.W.*; ROR- drives androgen receptor expression and represents a therapeutic target in castration-resistant prostate cancer.
Nat Med, 2016, 22: 488-496.
9. Xue, X#.; Zhang, Y#.; Liu, Z#.; Song, M.; Xing, Y.; Xiang, Q.; Wang, Z.; Tu, Z.; Zhou, Y.; Ding, K.; Xu Y*. Discovery of benzo[cd]indol-2(1H)-ones as potent and specific BET bromodomain inhibitors: structure-based virtual screening, optimization, and biological evaluation.
J Med Chem, 2016, 59, 1565-1579
10.Cao, M.; Liu, X.; Zhang, Y.; Xue, X.; Zhou, X. E.; Melcher, K.; Gao, P.; Wang, F.; Zeng, L.; Zhao, Y.; Zhao, Y.; Deng, P.; Zhong, D.; Zhu, J. K.*; Xu, H. E.*; Xu, Y*. An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants. （共同通讯）
Cell Res, 2013, 23, 1043-1054.

科技部国家重点研发计划（2020年，2016年，2013年）；基金委面上项目；中国科学院科技服务网络计划（STS计划）区域重点项目；中科院“个性化药物”战略性先导科技专项（A类）等