赵亚雪 副研究员

电话：
邮箱：yaxuezhao@sjtu.edu.cn



个人简历 研究方向 发表论文 科研成果
2012年在上海交通大学药学院获得药学博士学位，随后留校工作至今，现任上海交通大学药学院副研究员。研究方向为计算机辅助药物设计和计算生物学，主要是针对体内关键的药物靶标，利用计算的方法和手段，进行生物大分子作用机制和动力学行为的研究，并对其进行小分子抑制剂的发现、设计与优化。
奖励与荣誉：
2017年度上海交通大学李兰馨青年教师奖。
2016年度上海交通大学博士后奖励基金三等奖。


计算机辅助药物分子设计、计算生物学


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.


主持课题：
(1)上海交通大学医工交叉项目（OGD糖氧剥夺刺激下神经元内异常形成cofilin rod导致突触功能损伤的机制研究）
(2)上海交通大学医工交叉项目（去细胞真皮交联雷帕霉素纳米颗粒修复糖尿病足难愈性创面的实验研究）
(3)上海交通大学医工交叉项目（四氧化三铁修饰石墨烯用于耐药性癫痫的靶向示踪及光热切除研究）
(4)国家自然科学基金青年基金（p120-catenin抑制剂的发现、优化及其化学生物学研究）。
(5)上海市自然科学基金（GEF活化抗癌转移药物靶标Cdc42的分子机制研究）。
(6)上海交通大学青年教师基金（SENP1抑制剂的发现）。
(7)中国博士后科学基金面上基金（抗感染靶点亮氨酰-tRNA合成酶中tRNA的转移机制研究）。