Medicinal Chemistry and Drug Discovery
Principal investigator
Name:
Jianjun ChengAssistant Professor , PhD, Assistant Professor
Position:
Affiliation:
Honor:
Education Background:
- 2001/09-2005/06, Shandong University, BS
- 2005/09-2010/07, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Ph.D.
Working Experience:
- 2010/07-2013/10, Shanghai Huilun Life Sciences & Technology, Senior Scientist
- 2013/11-2016/03, University of Illinois at Chicago, Postdoctoral Research Associate
- 2016/03-2022/06, ShanghaiTech University, iHuman Institute, Principal Investigator
- 2022/07-present, ShanghaiTech University, School of Life Science and Technology/iHuman Institute, Assistant Professor (TENURE-TRACK)
Group Introduction
Research Area:
GPCR-targeted drug discovery
Research Interests:
Our lab focuses on GPCR-targeted medicinal chemistry and drug design. Accumulated biological knowledge on the structures and functions of GPCRs is leveraged for the design of novel drug-like molecules and the study of their biological activities. We are interested in novel antipsychotic drug discovery targeting the aminergic GPCRs, and the discovery of novel cancer immunotherapeutics targeting the adenosine receptors.
Research Achievement
1. Structure-based discovery of non-hallucinogenic psychedelic analog IHCH-7086 as a novel antidepressant drug candidate (Science 2022). 2. Structure-based discovery of highly selective dopamine D2 receptor partial agonist IHCH-7041 as a novel preclinical anti-schizophrenia drug candidate (Nature Neuroscience 2022, cover story). 3. PCPMA-based highly selective serotonin 2C agonists with anti-schizophrenia effects (J Med Chem 2015; 2016a; 2016b); highly selective dopamine D3 ligands (J Med Chem 2020); and dopamine D2 partial agonists with anti-schizophrenia effects (J Med Chem 2021). 4. Discovery of dual-acting tumor immunotherapeutics targeting the adenosine A2a receptor and histone deacetylases (J Med Chem 2021; Eur J Med Chem 2022).
Representative Publications (*First Author, # Corresponding Author)
- 1. Chen, Zhangcheng*; Yu, Jing; Wang, Huan; Xu, Peiyu; Fan, Luyu; Sun, Fengxiu; Huang, Sijie; Zhang, Pei; Huang, He; Gu, Shuo; Zhang, Bowen; Zhou, Yue; Wan, Xiaobo; Pei, Gang; Xu, H. Eric#; Cheng, Jianjun#; Wang, Sheng#; .Flexible scaffold-based cheminformatics approach for polypharmacological drug design.CELL. 25 Apr 2024. 187(9).
- 2. Duan, Wenwen*; Cao, Dongmei; Wang, Sheng#; Cheng, Jianjun#; .Serotonin 2A Receptor (5-HT2AR) Agonists: Psychedelics and Non-Hallucinogenic Analogues as Emerging Antidepressants.CHEMICAL REVIEWS. 2023. 124(1):124-163.
- 3. Liu, Ruiquan*; Duan, Wenwen; Yan, Wenzhong; Zhang, Jinfeng; Cheng, Jianjun#; .Design and synthesis of tri-substituted pyrimidine derivatives as bifunctional tumor immunotherapeutic agents targeting both A 2A adenosine receptors and histone deacetylases.CHINESE CHEMICAL LETTERS. 2024. 35(1).
- 4. Li, Huiqiong*; Cheng, Jianjun#.2-Phenylcyclopropylmethylamine (PCPMA) as a privileged scaffold for central nervous system drug design.BIOORGANIC AND MEDICINAL CHEMISTRY LETTERS. 2024. 101: 129654.
- 5. Jianhang Mao*; Yilong Cui; Huan Wang; Wenwen Duan; Zhi-Jie Liu; Tian Hua*; Ning Zhou#; Jianjun Cheng#; .Design and Synthesis of Novel GPR139 Agonists with Therapeutic Effects in Mouse Models of Social Interaction and Cognitive Impairment.JOURNAL OF MEDICINAL CHEMISTRY. 13 Oct 2023. 66(20):14011–14028.
- 6. Liu, Ruiquan*; Qi, Jianzhong; Wang, Huan; Fan, Luyu; Zhang, Pei; Yu, Jing; Tan, Liang; Wang, Sheng#; Cheng, Jianjun#; .Transformation of a Dopamine D2 Receptor Agonist to Partial Agonists as Novel Antipsychotic Agents.JOURNAL OF MEDICINAL CHEMISTRY. 11 May 2023. 66(9).
- 7. Sun, Nan*; Yang, Kexin*; Yan, Wenzhong; Yao, Mingyue; Xie, Chengying#; Cheng, Jianjun#; Yu, Chengcheng; Duan, Wenwen; Gu, Xiaoke; Guo, Dong; Jiang, Hualiang; .Design and Synthesis of Triazole-Containing HDAC Inhibitors That Induce Antitumor Effects and Immune Response.JOURNAL OF MEDICINAL CHEMISTRY. 01 Mar 2023.
- 8. Zhang, Jinfeng*; Feng, Dandan; Cheng, Jianjun#; Wüthrich, Kurt#; .Adenosine A2AReceptor (A2AAR) Ligand Screening Using the 19F-NMR Probe FPPA.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2023. 145(28):15061-15064.
- 9. Cao, Dongmei*; Yu, Jing; Wang, Huan; Luo, Zhipu; Liu, Xinyu; He, Licong; Qi, Jianzhong; Fan, Luyu; Tang, Lingjie; Chen, Zhangcheng; Li, Jinsong; Cheng, Jianjun#; Wang, Sheng#; .Structure-based discovery of nonhallucinogenic psychedelic analogs.SCIENCE. 28 Jan 2022. 375(6579).
- 10. Chen, Zhangcheng*; Fan, Luyu; Wang, Huan; Yu, Jing; Lu, Dengyu; Qi, Jianzhong; Nie, Fen; Luo, Zhipu; Liu, Zhen; Cheng, Jianjun#; Wang, Sheng#; .Structure-based design of a novel third-generation antipsychotic drug lead with potential antidepressant properties.NATURE NEUROSCIENCE. Jan 2022.
- 11. Wang, Jingjing*; Wu, Meng; Chen, Zhangcheng; Wu, Lijie; Wang, Tian; Cao, Dongmei; Wang, Huan; Liu, Shenhui; Xu, Yueming; Li, Fei; Liu, Junlin; Chen, Na; Zhao, Suwen; Cheng, Jianjun#; Wang, Sheng#; Hua, Tian#; .The unconventional activation of the muscarinic acetylcholine receptor M4R by diverse ligands.NATURE COMMUNICATIONS. 23 May 2022. 13(1).
- 12. Gu, Xiaoke*; Yuan, Haoxing; Zhao, Wenchao; Sun, Nan; Yan, Wenzhong; Jiang, Chunyu; He, Yan; Liu, Hongli; Cheng, Jianjun#; Guo, Dong#; .Optical-Controlled Kinetic Switch: Fine-Tuning of the Residence Time of an Antagonist Binding to the Vasopressin V2 Receptor in In Vitro, Ex Vivo, and In Vivo Models of ADPKD.JOURNAL OF MEDICINAL CHEMISTRY. 01 Dec 2022. 66(2).
- 13. Zhang, Jinfeng*; Luo, Ziwei; Duan, Wenwen; Yang, Kexin; Ling, Lijun; Yan, Wenzhong; Liu, Ruiquan; Wuthrich, Kurt; Jiang, Hualiang#; Xie, Chengying#; Cheng, Jianjun#; .Dual-acting antitumor agents targeting the A 2A adenosine receptor and histone deacetylases: Design and synthesis of 4-(furan-2-yl)-1H- pyrazolo[3,4-d]pyrimidin-6-amine derivatives.EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY. 05 Jun 2022. 5(236):1-14.
- 14. Zhang, Haoran*; Yan, Wenzhong; Sun, Yongzhan; Yuan, Haoxing; Su, Limin; Cao, Xudong; Wang, Peng; Xu, Zhou; Hu, Youhui; Wang, Zhongjian; Wang, Yinan; Fu, Kequan; Sun, Ying; Chen, Yupeng#; Cheng, Jianjun#; Guo, Dong#; .Long Residence Time at the Vasopressin V-2 Receptor Translates into Superior Inhibitory Effects in Ex Vivo and In Vivo Models of Autosomal Dominant Polycystic Kidney Disease.JOURNAL OF MEDICINAL CHEMISTRY. 09 Jun 2022. 65(11).
- 15. Yan, Wenzhong*; Ling, Lijun; Wu, Yiran; Yang, Kexin; Liu, Ruiquan; Zhang, Jinfeng; Zhao, Simeng; Zhong, Guisheng; Zhao, Suwen; Jiang, Hualiang#; Xie, Chengying#; Cheng, Jianjun#; .Structure-Based Design of Dual-Acting Compounds Targeting Adenosine A(2A) Receptor and Histone Deacetylase as Novel Tumor Immunotherapeutic Agents.JOURNAL OF MEDICINAL CHEMISTRY. 25 Nov 2021. 64(22).
- 16. Yan, Wenzhong*; Fan, Luyu; Yu, Jing; Liu, Ruiquan; Wang, Huan; Tan, Liang; Wang, Sheng#; Cheng, Jianjun#; .2-Phenylcyclopropylmethylamine Derivatives as Dopamine D-2 Receptor Partial Agonists: Design, Synthesis, and Biological Evaluation.JOURNAL OF MEDICINAL CHEMISTRY. 09 Dec 2021. 64(23).
- 17. Duan, Wenwen*; Sun, Ying; Wu, Meng; Zhang, Zhiyuan; Zhang, Taotao; Wang, Huan; Li, Fei; Yang, Lingyun; Xu, Yueming; Liu, Zhi-Jie; Hua, Tian#; Nie, Hong#; Cheng, Jianjun#; .Carbon-silicon switch led to the discovery of novel synthetic cannabinoids with therapeutic effects in a mouse model of multiple sclerosis.EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY. 15 Dec 2021. 226.
- 18. Chan, H. C. Stephen*; Xu, Yueming; Tan, Liang; Vogel, Horst; Cheng, Jianjun#; Wu, Dong#; Yuan, Shuguang#; .Enhancing the Signaling of GPCRs via Orthosteric Ions.ACS CENTRAL SCIENCE. 26 Feb 2020. 6(2):274-282.
- 19. Fan, Luyu*; Tan, Liang; Chen, Zhangcheng; Qi, Jianzhong; Nie, Fen; Luo, Zhipu; Cheng, Jianjun#; Wang, Sheng#; .Haloperidol bound D-2 dopamine receptor structure inspired the discovery of subtype selective ligands.NATURE COMMUNICATIONS. 26 Feb 2020. 11(1).
- 20. Zhang, Jinfeng*; Yan, Wenzhong; Duan, Wenwen; Wuthrich, Kurt; Cheng, Jianjun#; .Tumor Immunotherapy Using A(2A) Adenosine Receptor Antagonists.PHARMACEUTICALS. Sep 2020. 13(9).
- 21. Tan, Liang*; Zhou, Qingtong; Yan, Wenzhong; Sun, Jian; Kozikowski, Alan P.; Zhao, Suwen; Huang, Xi-Ping#; Cheng, Jianjun#; .Design and Synthesis of Bitopic 2-Phenylcyclopropylmethylamine (PCPMA) Derivatives as Selective Dopamine D3 Receptor Ligands.JOURNAL OF MEDICINAL CHEMISTRY. 14 May 2020. 63(9):4579-4602.
- 22. Tan, Liang*; Yan, Wenzhong; McCorvy, John D.#; Cheng, Jianjun#; .Biased Ligands of G Protein-Coupled Receptors (GPCRs): Structure-Functional Selectivity Relationships (SFSRs) and Therapeutic Potential.JOURNAL OF MEDICINAL CHEMISTRY. 22 Nov 2018. 61(22):9841-9878.
- 23. Duan, Wenwen*; Cao, Dongmei; Wang, Wang, Sheng#; Cheng, Jianjun#.Serotonin 2A Receptor (5-HT2AR) Agonists: Psychedelics and Non-Hallucinogenic Analogues as Emerging Antidepressants.CHEMICAL REVIEWS. 2024. 124(1): 124-163.
Group Member and Photo
-
Name:Huan Wang
Position:Research Associate Professor
Duration:2018-
Email:wanghuan1@shanghaitech.edu.cn
-
Name:Wenzhong Yan
Position:Research Assistant Professor
Duration:2017-
Email:yanwzh@shanghaitech.edu.cn
-
Name:Jinfeng Zhang
Position:Postdoc
Duration:2022-
Email:zhangjf4@shanghaitech.edu.cn
-
Name:Huiqiong Li
Position:Doctoral Student
Duration:2022-
Email:lihq@shanghaitech.edu.cn
-
Name:Rongyan Li
Position:Postgraduate Student
Duration:2021-
Email:liry@shanghaitech.edu.cn
-
Name:Yangyang Liu
Position:Postgraduate Student
Duration:2021-
Email:liuyy3@shanghaitech.edu.cn
-
Name:Yujin Chen
Position:Postgraduate Student
Duration:2022-
Email:chenyj2022@shanghaitech.edu.cn
-
Name:Rui Huang
Position:Undergraduate Student
Duration:2022-
Email:huangrui2022@shanghaitech.edu.cn
-
Name:Xin Ji
Position:Undergraduate Student
Duration:2022-
Email:jixin2022@shanghaitech.edu.cn
-
Name:Huilin Li
Position:Undergraduate Student
Duration:2022-
Email:lihl2022@shanghaitech.edu.cn
-
Name:Jianhang Mao
Position:Postgraduate Student
Duration:2020-2023
Email:maojh@shanghaitech.edu.cn

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