Dongmei Li
Associate Professor
· Work Address: College of Pharmacy, Nankai University
· Telephone: +86-22-***
· E-mail: dongmeili@nankai.edu.cn
Research Areas
Computational chemistry and biology, Computer-aided drug design
Awards
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[2] .......
5. Social Service
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[2] ......
Research & Achievements
Peer-Reviewed Journal Papers: (*Corresponding author)
[1] Mukuo Wang, Shujing Hou, Yu Wei*, Dongmei Li*, Jianping Lin*, Discovery of novel dual adenosine A1/A2A receptor antagonists using deep learning, pharmacophore modeling and molecular docking, PLoS Computational Biology 2021, 17(3): e1008821.
[2] Ting Xiao#, Mengqi Cui#, Caijuan Zheng#, Ming Wang#, Ronghao Sun#, Dandi Gao, Jiali Bao, Shanfa Ren, Bo Yang, Jianping Lin, Xiaoping Li, Dongmei Li*, Cheng Yang*, Honggang Zhou*, Myricetin inhibits SARS-CoV-2 viral replication by targeting Mpro and ameliorates pulmonary inflammation, Frontiers in Pharmacology 2021, 12: 669642.
[3] Ting Xiao#, Yuli Wei#, Mengqi Cui#, Xiaohe Li#, Hao Ruan#, Liang Zhang, Jiali Bao, Shanfa Ren, Dandi Gao, Ming Wang, Ronghao Sun, Mingjiang Li, Jianping Lin, Dongmei Li*, Cheng Yang*, Honggang Zhou*, Effect of dihydromyricetin on SARS-CoV-2 viral replication and pulmonary inflammation and fibrosis, Phytomedicine 2021, 91: 153704.
[4] Hao Wang, Shuai He, Weilong Deng, Ying Zhang, Guobang Li, Jixue Sun, Wei Zhao, Yu Guo, Zheng Yin, Dongmei Li*, Luqing Shang*, Comprehensive insights into the catalytic mechanism of middle east respiratory syndrome 3C-like protease and severe acute respiratory syndrome 3C-like protease, ACS Catalysis 2020, 10(10): 5871-5890.
[5] Yu Wei#, Mukuo Wang#, Yang Li#, Zhangyong Hong, Dongmei Li*, Jianping Lin*, Identification of new potent A1 adenosine receptor antagonists using a multistage virtual screening approach, European Journal of Medicinal Chemistry 2020, 187: 111936.
[6] Yang Li, Mukuo Wang, Na Gao, Dongmei Li*, Jianping Lin*, The effect of dimerization on the activation and conformational dynamics of adenosine A1 receptor, Physical Chemistry Chemical Physics 2019, 21(41): 22763-22773.
[7] Yu Wei#, Ruihua Liu#, Cui Liu#, Jin Jin*, Dongmei Li*, Jianping Lin*, Identification of novel PAD4 inhibitors based on a pharmacophore model derived from transition state coordinates, Journal of Molecular Graphics & Modelling, 2017, 72: 88-95.
[8] Yang Li#, Can Yin#, Pi Liu#, Dongmei Li*, Jianping Lin*, Identification of a different agonist-binding site and activation mechanism of the human P2Y1 receptor, Scientific Reports 2017, 7: 13764.
[9] Weilong Zhong#, Pi Liu#, Qiang Zhang, Dongmei Li*, Jianping Lin*, Structure-based QSAR, molecule design and bioassays of protease-activated receptor 1 inhibitors, Journal of Biomolecular Structure & Dynamics 2017, 35(13): 2853-2867.
[10] Yang Li, Jixue Sun, Dongmei Li*, Jianping Lin*, Activation and conformational dynamics of class B G-protein-coupled receptor glucagon receptor, Physical Chemistry Chemical Physics 2016,18(18): 12642-12650.
[11] Pi Liu, Zhonghua Wang, Lijie Zhang, Dongmei Li*, Jianping Lin*, The mechanism by which 146-N-glycan affects the active site of neuraminidase, PLoS ONE 2015, 10: e0135487.
[12] Junli Xu#, Zhonghua Wang#, Pi Liu*, Dongmei Li*, Jianping Lin*, An insight into antagonist binding and induced conformational dynamics of class B GPCR corticotropin-releasing factor receptor 1, Molecular BioSystems 2015, 11(7): 2042-2050.
[13] Zichen Xu, Lei Zhang*, Dongmei Li*, Xiyun Liu, Yuxia Wang, Jianping Lin, Binding of a Dy(III) complex to apoferritin inhibits iron mineralization, Polyhedron 2015, 92: 37-40.
[14] Dongmei Li*, Cui Liu, Jianping Lin*, Theoretical study of the mechanism of protein arginine deiminase 4 (PAD4) inhibition by F-amidine, Journal of Molecular Graphics & Modelling 2015, 55: 25-32.
[15] Dongmei Li*, Xiaoqin Huang, Jianping Lin, Chang-Guo Zhan*, Catalytic mechanism of cytochrome P450 for N-methylhydroxylation of nicotine: reaction pathways and regioselectivity of the enzymatic nicotine oxidation, Dalton Transactions 2013, 42: 3812-3820.
[16] Hui Ye#, Ruihua Liu#, Dongmei Li#, Yonghui Liu, Haixin Yuan, Weikang Guo, Lifei Zhou, Xuefeng Cao, Hongqi Tian, Jie Shen*, Peng George Wang*, A safe and facile route to imidazole-1-sulfonyl azide as a diazotransfer reagent, Organic Letters 2013, 15: 18-21.
[17] Dongmei Li, Yong Wang, Keli Han*, Recent density functional theory model calculations of drug metabolism by cytochrome P450, Coordination Chemistry Reviews 2012, 256: 1137-1150.
[18] Dongmei Li, Xiaoqin Huang, Keli Han, Chang-Guo Zhan*, Catalytic mechanism of cytochrome P450 for 5’-hydroxylation of nicotine: fundamental reaction pathways and stereoselectivity, Journal of the American Chemical Society 2011, 133: 7416-7427.
[19] Dongmei Li, Yong Wang, Keli Han*, Chang-Guo Zhan*, Fundamental reaction pathways for cytochrome P450-catalyzed 5’-hydroxylation and N-demethylation of nicotine, The Journal of Physical Chemistry B 2010, 114: 9023-9030.
[20] Dongmei Li, Yong Wang, Chuanlu Yang, Keli Han*, Theoretical study of N-dealkylation of N-cyclopropyl-N-methylaniline catalyzed by cytochrome P450: insight into the origin of the regioselectivity, Dalton Transactions 2009, 291-297.
Teaching
[1] Undergraduate: Physical Chemistry, Computer-Aided Drug Design
[2] Master: Computer-Aided Drug Design
