详细介绍: 学习与工作经历 2021.06-至今 河北农业大学,植物保护学院,农药系,“青年才俊”引进人才,校聘副教授 2019.09-2020.09 京都大学(日本),工学院,合成&生物化学专攻,访问学者 2015.09-2021.01 中国农业大学,理学院, 农药学,博士 2011.09-2015.06 河南科技学院,资源与环境学院,植物保护专业,学士 研究方向 主要从事基于计算机辅助的绿色农药、荧光底物分子合理设计与合成评价工作。重点在计算机辅助药物设计方法的开发及其在农药和医药开发中的应用、发现新型高活性先导化合物、分子结构优化和合成等领域的研究。 科研项目 1. 国家自然科学基金青年科学项目,32102247,基于虚拟筛选—共价修饰的策略发掘新型OfChi-h抑制剂,2022.01-2024.12,30万,在研,主持; 2. 河北农业大学引进人才科研专项,YJ2021021,新型几丁质酶抑制剂的设计合成与活性评价,2021.06-2025.12,20万,在研,主持; 3. 河北省高校基本科研业务费项目,KY2021066,基于AlphaFold 2辅助的虚拟筛选发掘新型高效的昆虫鱼尼丁受体抑制剂,2021.01-2022.11,1万,结题,主持; 4. 河北省重点研发计划项目,22326508D,新型昆虫OfChi-h和OfHex1双靶标抑制剂的设计、合成及活性研究,2022-07至2024-12,30万,在研,主持; 5. 国家重点实验室自主研究课题,NCCIR2022ZZ-18,靶向于OfChi-h的新型绿色杀虫剂分子的发掘,2022-02至2023-09,15万,在研,主持。 代表性成果: 1. Dong, L.; Shen, S.; Jiang, X.; Liu, Y.; Li, J.; Chen, W.; Wang, Y.; Shi, J.; Liu, J.; Ma, S., Discovery of Azo-Aminopyrimidines as Novel and Potent Chitinase O f Chi-h Inhibitors via Structure-Based Virtual Screening and Rational Lead Optimization. J Agr Food Chem 2022, 70 (38), 12203-12210. 2. Shen, S.; Ding, B.; Jiang, X.; Yang, M.; Yang, Q.; Dong, L.*, Discovery of novel inhibitors targeting nematode chitinase CeCht1: Virtual screening, biological evaluation, and molecular dynamics simulation. Frontiers in Chemistry 2022, 10. 3. Dong, L.; Zhang, J., Research progress of avermectin: A minireview based on the structural derivatization of avermectin. Advanced Agrochem 2022, 1 (2), 100-112. 4. Dong, L.; Shen, S.; Xu, Y.; Wang, L.; Yang, Q.; Zhang, J.; Lu, H., Identification of novel insect β-N-acetylhexosaminidase OfHex1 inhibitors based on virtual screening, biological evaluation, and molecular dynamics simulation. J. Biomol. Struct. Dyn. 2021, 39 (5), 1735-1743. 5. Shen, S.#; Dong, L.#; Chen, W.; Wu, R.; Lu, H.; Yang, Q.; Zhang, J., Synthesis, Optimization, and Evaluation of Glycosylated Naphthalimide Derivatives as Efficient and Selective Insect β-N-Acetylhexosaminidase OfHex1 Inhibitors. J Agr Food Chem 2019, 67 (22), 6387-6396. 6. Dong, L.; Shen, S.; Lu, H.; Jin, S.; Zhang, J., Novel Glycosylated Naphthalimide-Based Activatable Fluorescent Probe: A Tool for the Assessment of Hexosaminidase Activity and Intracellular Hexosaminidase Imaging. ACS Sens 2019, 4 (5), 1222-1229. 7. Dong, L.; Shen, S.; Chen, W.; Xu, D.; Yang, Q.; Lu, H.; Zhang, J., Discovery of Novel Inhibitors Targeting Human O-GlcNAcase: Docking-Based Virtual Screening, Biological Evaluation, Structural Modification, and Molecular Dynamics Simulation. J Chem Inf Model 2019, 59 (10), 4374-4382. 8. Dong, L.; Shen, S.; Xu, Y.; Wang, L.; Feng, R.; Zhang, J.; Lu, H., Computational Studies on the Potency and Selectivity of PUGNAc Derivatives Against GH3, GH20, and GH84 beta-N-acetyl-D-hexosaminidases. Front Chem 2019, 7 (235), 235. 9. Dong, L.; Shen, S.; Chen, W.; Lu, H.; Xu, D.; Jin, S.; Yang, Q.; Zhang, J., Glycosyl triazoles as novel insect β-N-acetylhexosaminidase OfHex1 inhibitors: Design, synthesis, molecular docking and MD simulations. Bioorg. Med. Chem. 2019, 27 (12), 2315-2322. 10. Dong, L.; Feng, R.; Bi, J.; Shen, S.; Lu, H.; Zhang, J., Insight into the interaction mechanism of human SGLT2 with its inhibitors: 3D-QSAR studies, homology modeling, and molecular docking and molecular dynamics simulations. J Mol Model 2018, 24 (4), 86. 奖励情况: 2019年博士国家奖学金,2019年北京市振兴农药事业奖 |