1.Ning Kang, Xiao-Lei Wang, Yaxue Zhao*. Discovery of small molecule agonists targeting neuropeptide Y4 receptor using homology modeling and virtual screening. Chem. Biol. Drug Des. 2019, 94:2064-2072.
2.Ning Kang, Jiansheng Liu, Yaxue Zhao*. Dissociation mechanism of GDP from Cdc42 via DOCK9 revealed by molecular dynamics simulations. Proteins, 2019, 87:433-442.
3.Byron J. Aguilar, Yaxue Zhao, Huchen Zhou*, Shouquan Huo, Yan-Hua Chen, Qun Lu*. Inhibition of Cdc42-intersectin interaction by small molecule ZCL367 impedes cancer cell cycle progression, proliferation, migration, and tumor growth. Cancer Biol Ther. 2019, 20:740-749.
4.Yaxue Zhao, Zhongli Wang, Jianchen Zhang, Huchen Zhou*. Identification of SENP1 inhibitors through in silico screening and rational drug design. Eur. J. Med. Chem. 2016, 122:178-184.
5.Yaxue Zhao, Mingyan Zhu, Qun Lu, Huchen Zhou*. Targeting protein-protein interactions in Rho GTPase regulation using small molecules. Science (pushing the boundaries of scientific research: 120 years of addressing global issues). 2016, 11 March:71-72.
6.Wenjuan Xie, Zhongli Wang, Jianchen Zhang, Lie Wang, Yaxue Zhao, Huchen Zhou*. Development and evaluation of a highly reliable assay for SUMO-specific protease inhibitors. Bioorg Med Chem Lett. 2016, 26(9):2124-2128.
7.Yaxue Zhao, Qingqing Meng, Linquan Bai, Huchen Zhou*. In silico discovery of aminoacyl-tRNA synthetase inhibitors. Int. J. Mol. Sci. 2014, 15:1358-1373.
8.Yaxue Zhao, Feng Zhou, Huchen Zhou*, Haibin Su*. The structural and binding evolution in cysteine-gold cluster complexes. Phys. Chem. Chem. Phys. 2013, 15:1690-1698.
9.Amy Friesland†, Yaxue Zhao†(并列第一作者), Yan-Hua Chen, Lie Wang, Huchen Zhou*, Qun Lu*. Small molecule targeting Cdc42-Intersectin interaction disrupts Golgi organization and suppresses cell motility. Proc. Natl. Acad. Sci. U S A. 2013, 110:1261-1266.
10.Fenglong Zhang, Jin Du, Qing Wang, Qinghua Hu, Jiong Zhang, Dazhong Ding, Yaxue Zhao, Fei Yang, Enduo Wang, Huchen Zhou*. Discovery of N-(4-sulfamoylphenyl)thioureas as Trypanosoma brucei leucyl-tRNA synthetase inhibitors. Org. Biomol. Chem. 2013, 11(32):5310-5324.
11.Yaxue Zhao, Qing Wang, Qingqing Meng, Dazhong Ding, Huaiyu Yang, Guangwei Gao, Dawei Li, Weiliang Zhu, Huchen Zhou*. Identification of Trypanosoma brucei leucyl-tRNA synthetase inhibitors by pharmacophore- and docking-based virtual screening and synthesis. Bioorg. Med. Chem. 2012, 20:1240-1250.
12.Chuanxu Liu, Huchen Zhou, Yingli Wu, Xia Li, Qianqian Yin, Licai He, Jianxin Pu, Mingxuan Wu, Yaxue Zhao, Wei Liu, Weilie Xiao, Qian Zhao, Lishun Wang, Handong Sun, Guoqiang Chen*. Natural product adenanthin specifically targets peroxiredoxin I/II for its anti-leukemic activities. Nat. Chem. Biol. 2012, 8:486-493.
13.Dazhong Ding, Qingqing Meng, Guangwei Gao, Yaxue Zhao, Qing Wang, Bakela Nare, Robert Jacobs, Fernando Rock, Michael R. K. Alley, Jacob J. Plattner, Guoqiang Chen, Dawei Li, Huchen Zhou*. Design, synthesis, and structure-activity relationship of Trypanosoma brucei leucyl-tRNA synthetase inhibitors as antitrypanosomal agents. J. Med. Chem. 2011, 54:1276-1287.
14.Zhitao Qiao, Weiwei Wang, Lie Wang, Donghua Wen, Yaxue Zhao, Qing Wang, Qingqing Meng, Guoqiang Chen, Yingli Wu*, HuchenZhou*. Design, synthesis, and biological evaluation of benzodiazepine-based SUMO-specific protease 1 inhibitors. Bioorg. Med. Chem. Lett. 2011, 21(21):6389-6392.
15.Zhimin Huang, Liang Zhu, Yan Cao, Geng Wu, Xinyi Liu, Yingyi Chen, Qi Wang, Ting Shi, Yaxue Zhao, Yuefei Wang, Weihua Li, Yixue Li, Haifeng Chen, Guoqiang Chen, Jian Zhang*. ASD: a comprehensive database of allosteric proteins and modulators. Nucl. Acids Res. 2011, 39:D663-D669.
16.Yaxue Zhao, Xuefeng Lu, Chaoyie Yang, Zhimin Huang, Wei Fu, Tingjun Hou*, Jian Zhang*. Computational modeling toward understanding agonist binding on dopamine 3. J. Chem. Inf. Model. 2010, 50:1633-1643.
17.Dazhong Ding, Yaxue Zhao, Qingqing Meng, Dongsheng Xie, Bakela Nare, Daitao Chen, Cyrus J. Bacchi, Nigel Yarlett, Yong-Kang Zhang, Vincent Hernandez, Yi Xia, Yvonne Freund, Maha Abdulla, Kean-Hooi Ang, Joseline Ratnam, James H. McKerrow, Robert T. Jacobs, Huchen Zhou*, Jacob J. Plattner. Discovery of novel benzoxaborole-based potent antitrypanosomal agents. ACS Med. Chem. Lett. 2010, 1:165-169.
18.Yaxue Zhao, Weihua Li, Juan Zeng, Guixia Liu, Yun Tang*. Insights into the interactions between HIV-1 integrase and human LEDGF/p75 by molecular dynamics simulation and free energy calculation. Proteins. 2008, 72:635-645.
19.Li Du†, Yaxue Zhao†(并列第一作者), Jing Chen, Liumeng Yang, Yongtang Zheng, Yun Tang*, Xu Shen*, Hualiang Jiang. D77, one benzoic acid derivative, functions as a novel anti-HIV-1 inhibitor targeting the interaction between integrase and cellular LEDGF/p75. Biochem. Biophys. Res. Commun. 2008, 375:139-144.
20.Li Du†, Yaxue Zhao†(并列第一作者), Liumeng Yang, Yongtang Zheng, Yun Tang*, Xu Shen*, Hualiang Jiang. Symmetrical 1-pyrrolidineacetamide showing anti-HIV activity through a new binding site on HIV-1 integrase. Acta. Pharmacol. Sin. 2008, 29:1261-1267.
21.Juan Zeng, Weihua Li, Yaxue Zhao, Guixia Liu, Yun Tang*, Hualiang Jiang. Insights into Ligand Selectivity in Estrogen Receptor Isoforms: Molecular Dynamics Simulations and Binding Free Energy Calculations. J. Phys. Chem. B. 2008, 112(9):2719-2726.
22.Jie Shen, Yiping Du, Yaxue Zhao, Guixia Liu, Yun Tang. In silico prediction of blood-brain partitioning using a chemometric method called genetic algorithm based variable selection. QSAR Comb. Sci. 2008, 27:704-717.
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