Shanghai Institute of Material Medical Chinese Academy of Sciences

Biography

Zheng Mingyue received his Ph.D. degree from Shanghai Institute of Materia Medica (SIMM) in 2006. He is currently a Professor in State Key Laboratory of Drug Research at SIMM. His main research interests are in artificial intelligence approaches for rational drug design and discovery. He has been engaged in the machine-learning based methodology development around the discovery and structural optimization of lead compounds, the assessment of drug ADME/T properties, as well as the application of the above methods in practical drug design and discovery process.

Education:

2001.09 - 2006.07 Shanghai Institute of Materia Medica, Drug Design, PhD

1997.09 - 2001.07 Ocean University of China, Medicinal Chemistry, Bachelor

Work Experience:

2019.09-Present Project investigator, SIMM

2015.09-Present Professor, SIMM

2008.09-2015.09 Associate professor, SIMM

2006.07-2008.09 Research assitant, SIMM

Research Directions

Artificial Intelligence in the drug discovery and related disciplines including (but not restricted to):

In silico modeling and simulation of molecular systems and organisms

Chemistry, medicinal chemistry and chemical biology

Pharmaceutical research, pharmacology

Molecular biology, and systems biology

Clinical investigations.

Grants & Research Projects

National Natural Science Foundation of China (81773634), 2017-2021

Strategic Priority Research Program of the Chinese Academy of Sciences (XDA12050201), 2016-2020

Achievements

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Social Titles

Member of Computational Chemistry Committee of Chinese Chemical Society

Associate Editor of Artificial Intelligence in the Life Sciences (ISSN: 2667-3185)

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Awards & Honors

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Pubilcations

Full Publication List

Selected Publications

1.Yang, Tianbiao; Li, Zhaojun; Chen, Yingjia; Feng, Dan; Wang, Guangchao; Fu, Zunyun; Ding, Xiaoyu; Tan, Xiaoqin; Zhao, Jihui; Luo, Xiaomin; Chen, Kaixian ; Jiang, Hualiang*; Zheng, Mingyue*. DrugSpaceX: A large screenable and synthetically tractable database extending drug space. Nucleic Acids Research. 2021, 49, D1, D1170–D1178.

2.Lifan, Chen; Xiaoqin, Tan; Dingyan, Wang; Feisheng, Zhong; Xiaohong, Liu; Tianbiao, Yang; Xiaomin, Luo; Kaixian, Chen; Hualiang, Jiang*; Mingyue, Zheng*. TransformerCPI: Improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments. Bioinformatics, 2020, 36, 15, 4406-4414.

3.Yan, You; Wei-lian, Bao; SuLin, Zhang; Hai-Dong, Li; Hui, Li; Wen-zhen, Dang; SiLi, Zou; Xin-yue, Cao; Xu, Wang; Li-Xin, Liu; Hualiang, Jiang; Lefeng, Qu*; Mingyue, Zheng*, and Xiaoyan, Shen*. Sorting Nexin 10 Mediates Metabolic Reprogramming of Macrophages in Atherosclerosis Through the Lyn-dependent TFEB Signaling Pathway, Circ Res, 2020, 127:534–549

4.Zhaoping, Xiong; Dingyan, Wang; Xiaohong, Liu; Feisheng, Zhong; Xiaozhe, Wan; Xutong, Li; Zhaojun, Li; Xiaomin, Luo; Kaixian, Chen; Hualiang, Jiang*; Mingyue, Zheng*. Pushing the boundaries of molecular representation for drug discovery with graph attention mechanism. J Med Chem. 2020, 63, 16, 8749-8760.

5.Xutong, Li; Zhaojun, Li; Xiaolong, Wu; Zhaoping, Xiong; Tianbiao, Yang; Zunyun, Fu; Xiaohong, Liu; Xiaoqin, Tan; Feisheng, Zhong; Xiaozhe, Wan; Dingyan, Wang; Xiaoyu, Ding; Ruirui, Yang; hui Hou; Chunpu, Li; Hong, Liu; Kaixian, Chen; Hualiang, Jiang*; Mingyue, Zheng*. Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation. J Med Chem. 2020, 63, 16, 8723-8737.

6.Jihui, Zhao; Rongrong, Cui; Lihao, Wang; Yingjia, Chen; Zunyun, Fu; Xiaoyu, Ding; Chen, Cui; Tianbiao, Yang; Xutong, Li; Yuan, Xu; Kaixian, Chen; Xiaomin, Luo; Hualiang, Jiang*; and Mingyue, Zheng*. Revisiting Aldehyde Oxidase Mediated Metabolism in Drug-like Molecules: An Improved Computational Model. J. Med. Chem. 2020, 63, 12, 6523–6537

7.Zunyun, Fu; Xutong, Li; Zhaohui, Wang; Zhaojun, Li; Xiaohong, Liu; Xiaolong, Wu; Jihui, Zhao; Xiaoyu, Ding; Xiaozhe, Wan; Feisheng, Zhong; Dingyan, Wang; Xiaomin, Luo; Kaixian, Chen; Hong, Liu; Jiang, Wang*; Hualiang, Jiang*; and Mingyue, Zheng*. Optimizing Chemical Reaction Conditions Using Deep Learning: a Case Study for Suzuki-Miyaura Cross-Coupling Reaction. Org. Chem. Front. 2020,7, 2269-2277

8.Sulin, Zhang; Zhiwen, Yang; Weilian, Bao; Lixin, Liu; Yan, You; Xu, Wang; Liming, Shao; Wei, Fu; Xinhui, Kou; Weixing, Shen; Congmin, Yuan; Bin, Hu; Wenzhen, Dang; Kutty Selva, Nandakumar; Hualiang, Jiang; Mingyue, Zheng*; Xiaoyan, Shen*. SNX10 (sorting nexin 10) inhibits colorectal cancer initiation and progression by controlling autophagic degradation of SRC. Autophagy. 2020, 16(4),735-749.

9.Yulan, Wang; Yang, Dai; Xiaowei, Wu; Fei, Li; Bo, Liu; Chunpu, Li; Qiufeng, Liu; Yuanyang, Zhou; Bao, Wang; Mingrui, Zhu; Rongrong, Cui; Xiaoqin, Tan; Zhaoping, Xiong; Jia, Liu; Minjia, Tan; Yechun, Xu; Meiyu, Geng; Hualiang, Jiang; Hong, Liu*; Jing, Ai*; Mingyue Zheng*. Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J Med Chem. 2020, 62(16), 7473-7488.

10.Zhaojun, Li？; Xutong, Li？; Xiaohong, Liu; Zunyun, Fu; Zhaoping, Xiong; Xiaolong, Wu; Xiaoqin, Tan; Jihui, Zhao; Feisheng, Zhong; Xiaozhe, Wan; Xiaomin, Luo; Kaixian, Chen; Hualiang, Jiang* and Mingyue Zheng*. KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules. Bioinformatics, 2019, 35(24), 5354–5356.

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