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赵一雷

教授

  • 电话:+86-021-34207190
  • 邮箱:yileizhao@sjtu.edu.cn
  • 地址:东川路800号
  • 实验室网址:http://cbb.sjtu.edu.cn/faculty.php#zhao
  • 聚焦计算生物化学研究,如DNA磷硫酰化引起的双螺旋结构微扰和化学性质变化、生物合成酶和工业酶突变的反应势能面与催化效能关系。在JACS、ACS Catalysis等化学主流期刊上发表了近90篇SCI论文,获UCLA优秀博士后、上海市浦江人才和东方学者、教育部新世纪优秀人才等奖励。

研究方向

化学生物学

反应机理与分子识别机制的理论研究

结构生物信息学

蛋白质和核酸的化学修饰与生物学功能

分子光谱和XCMS

生物代谢中的表征应用

代表论著

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    He, B.-B.; Zhou, T.; Bu, X.-L.; Weng, J.-Y.; Xu, J.; Lin, S.-J.; Zheng, J.-T.;* Zhao, Y.-L.;* Xu, M.-J.* (2019) “Enzymatic Pyran Formation Involved in Xiamenmycin Biosynthesis” ACS Catalysis, 9(6): 5391-5399

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    Zhang, Z.; Jamieson, C.; Zhao, Y.-Lei; Li, D.; Ohashi, M.; * K. N. Houk, * & Y. Tang (2019) “Enzyme-catalyzed inverse-electron demand Diels-Alder reaction in the biosynthesis of antifungal ilicicolin H” J. Am. Chem. Soc.. 141 (14), pp 5659–5663

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    Zhou, J.-Y.; Wang, Y.; Xu, G.-C.; Wu, L.; Han, R.-Z.; Schwaneberg, U.; Rao, Y.-J.; Zhao, Y.-L.; Zhou, J.-H.; * Ni, Y* (2018) “Structural insight into enantioselective inversion of an alcohol dehydrogenase reveals a “polar gate” in stereo-recognition of diaryl ketones” J. Am. Chem. Soc. 140(39): 12645-12654

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    Nie, Y.; Wang, S.; Xu, Y.; Luo, S.; Zhao, Y.-L.;* Xiao, R.;* Montelione, G.; Hunt, J.; Szyperski, T. (2018) “Enzyme engineering based on X-ray structures and kinetic profiling of substrate libraries: alcohol dehydrogenases for stereospecific synthesis of a broad range of chiral alcohols” ACS catalysis. 8, 5145−5152

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    Shi, T.; Liu, L.; Tao, W.; Luo, S.; Fan, S.; Wang, X.-L.; Bai, L.; Zhao, Y.-L.* (2018) “Theoretical studies on the catalytic mechanism and substrate diversity for macrocyclization of pikromycin thioesterase” ACS catalysis.  2018, 8, 4323−4332

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    Chen, X.-P.; Shi, T.; Wang, X.-L.; Wang, J.; Chen, Q.; Bai, L.; Zhao Y.-L.* (2016) “Theoretical studies on the mechanism of thioesterase-catalyzed macrocyclization in erythromycin biosynthesis” ACS catalysis. 6, 4369-4378.

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    Qi, Y.-B; Wang, X.-L.; Shi, T.; Liu, S.; Xu, Z.-H.; Li, XQ; Shi, XL; Xu, P.; Zhao Y.-L.* (2015) “Multicomponent Kinetic Analysis and Theoretical Studies on the Phenolic Intermediates in the Oxidation of Eugenol and Isoeugenol Catalyzed by Laccase” Physical Chemistry Chemical Physics, 17 (44), 29597-29607

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    Huang, Y.; Tian, M.; Zhang, YC; Sheng, G.; Chen, Z.; Ma, Y.; Chen, Y.; Peng, YH; Zhao, Y.-L.*; Wang, YL.; Zhang, LH; Yang, ZJ* (2015) “D-Isonucleotide (isoNA) incorporation around cleavage site of passenger strand promotes the vibration of Ago2-PAZ domain and enhances in vitro potency of siRNA”. Organic & Biomolecular Chemistry, 13(44), 10825-10833.

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    Chen, L.; Wang, X.-L.; Shi, T.; Wu, T.; Deng, Z.; Zhao, YL* (2015) “Theoretical Study on the Relationship between Rp-Phosphorothioation and Base-Step in S-DNA: Based on Energetic and Structural Analysis”. J. Phys. Chem. B, 119, 474–481.

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    Zhang, Y.-C.; Liang, J.; Lian, P.; Han, Y.; Chen, Y.; Bai, L.; Wang, Z.; Liang, J.; Deng, Z.; Zhao, YL* (2012) “Theoretical Study on Steric Effects of DNA Phosphorothioation: B-Helical Destabilization in Rp-Phosphorothioated DNA”. J. Phys. Chem. B, 116, 10639–10648.

获奖情况

  • 2005年UCLA优秀博士后
  • 2005-2007年度美国交叉学科创新研究(INEST)Fellowship
  • 2011年上海市浦江人才计划
  • 2012年教育部新世纪优秀人才计划

教学情况

  • <计算生物化学>
  • 本科生专业课,内容为生化实验数据处理、建模、量化计算以及分子模拟
  • 2018YFA0901201 污染物降解元件分子识别和催化机制的理论计算及预测 (国家重点研发计划子课题——所属课题“难降解有毒污染物分解代谢功能元器件的挖掘与创制”/难降解有毒污染物智能生物降解体系)
  • 31970041 基于预反应态模型的生物合成关键酶设计和应用 (国家自然科学基金 面上项目)
  • 31770070 DNA磷硫酰化修饰中分子识别及其抗氧化机理研究 (国家自然科学基金 面上项目)

承担项目