WANG Xiaojian
Principal Investigator
Wang Xiaojian, PhD. Associate Professor, master supervisor. In 2010, he graduated from China Pharmaceutical University with a doctorate degree. In the same year, he joined the synthetic medicinal chemistry laboratory of the Institute of Materia Medica to continue the research work on medicinal chemistry, innovative drug development, and organic synthesis methodology. During 2011-2012, he went to University of Illinois at Chicago to conduct joint research work. In 2011, he won the 14th Servier Young Medicinal Chemistry Award of the Chinese Pharmaceutical Association. In 2014 and 2016, he won the second prize of "Liang Zhou Huang Yu Liu" Youth Science and Technology Award. He was granted the first prize of Jiangsu Science and Technology Award in 2015. In 2016, he was granted the title of Union Rising Star. During these years, he led the National Natural Science Foundation of China General Fund and Youth Fund Project. Since 2010, more than 50 SCI papers have been published, 6 patents have been applied, and 3 have been authorized. He participated 3 innovative drug projects which were carried out in clinical trials.
Research field:
(1) Drug discovery based on the Artificial intelligence (AI) method.
(2) Drug discovery based on the Receptor and ligand design method.
(3) Design, synthesis and biological evaluation of PROTAC molecules.
1. Liu, X.; Wang, M.; Yang, M.; Sun, H.; Wang, B.; Pan, X.; Chen, X.; Jin, J.; Wang, X.*, Structure-activity relationship study of amidobenzimidazole derivatives as stimulator of interferon genes (STING) agonists. Eur. J. Med. Chem. 2023, 246, 114943. ( IF="7.0)
2. Yang, M.; Jiang, H.; Yang, Z.; Liu, X.; Sun, H.; Hao, M.; Hu, J.; Chen, X.; Jin, J.; Wang, X.*, Design, synthesis, and biological evaluation of pyrrolopyrimidine derivatives as novel Bruton's tyrosine kinase (BTK) inhibitors. Eur. J. Med. Chem. 2022, 241, 114611. ( IF="7.0)
3. Yang, Z.; Song, J.; Yang, M.; Yao, L.; Zhang, J.; Shi, H.; Ji, X.; Deng, Y.; Wang, X.*, Cross-Modal Retrieval between (13)C NMR Spectra and Structures for Compound Identification Using Deep Contrastive Learning. Anal. Chem. 2021, 93 (50), 16947-16955. ( IF="8.0)
4. Jia, W.; Yang, Z.; Yang, M.; Cheng, L.; Lei, Z.*; Wang, X.*, Machine Learning Enhanced Spectrum Recognition Based on Computer Vision (SRCV) for Intelligent NMR Data Extraction. J. Chem. Inf. Model. 2021, 61, 21-25. (IF="4.5)
5. Xi, Q.; Wang, M.; Jia, W.; Yang, M.; Hu, J.; Jin, J.*; Chen, X.*; Yin, D.; Wang, X.*, Design, Synthesis, and Biological Evaluation of Amidobenzimidazole Derivatives as Stimulator of Interferon Genes (STING) Receptor Agonists. J. Med. Chem. 2020, 63, 260-282. (IF="6.2)
6. Liu, T.; Jin, J.; Chen, Y.; Xi, Q.; Hu, J.; Jia, W.; Chen, X.; Li, Y.; Wang, X.*; Yin, D., Identification and Structure–Activity Relationship (SAR) of potent and selective oxadiazole-based agonists of sphingosine-1-phosphate receptor (S1P1). Bioorg. Chem. 2019, 82, 41-57. (IF="4.8)
7. Jia, W.; Xi, Q.; Liu, T.; Yang, M.; Chen, Y.; Yin, D.; Wang, X.*, One-Pot Synthesis of O-Heterocycles or Aryl Ketones Using an InCl3/Et3SiH System by Switching the Solvent. J.Org. Chem. 2019, 84, 5141-5149. (IF="4.3)
8. Yang, M.; Tao, B.; Chen, C.; Jia, W.; Sun, S.; Zhang, T.; Wang, X.*, Machine Learning Models Based on Molecular Fingerprints and an Extreme Gradient Boosting Method Lead to the Discovery of JAK2 Inhibitors. J. Chem. Inf. Model. 2019, 59, 5002-5012. (IF="4.5)
9. Chen, Y.; Liu, T.; Xi, Q.; Jia, W.; Yin, D.; Wang, X.*, A Computational Approach to the Study of the Binding Mode of S1P1R Agonists Based on the Active-Like Receptor Model. J. Chem. Inf. Model. 2019, 59 , 1624-1633. (IF="4.5)
10. Yang, M.; Xi, Q.; Jia, W.; Wang, X.*, Structure-based analysis and biological characterization of imatinib derivatives reveal insights towards the inhibition of wild-type BCR-ABL and its mutants. Bioorg. Med. Chem. Lett. 2019, 29,126758. (IF="2.6)
11. Liu, T.; Jia, W.; Xi, Q.; Chen, Y.; Wang, X.*; Yin, D., Diversity-Oriented Synthesis of Heterocycles: Al(OTf)3-Promoted Cascade Cyclization and Ionic Hydrogenation. J.Org. Chem. 2018, 83, 1387-1393. (IF="4.8)
12. Xiao, Q.; Jin, J.; Wang, X. J.; Hu, J. P.; Xi, M. Y.; Tian, Y. L.; Yin, D. L.*, Synthesis, identification, and biological activity of metabolites of two novel selective S1P1 agonists. Bioorg. Med. Chem. 2016, 24, 2273-2279. (IF="2.9)
13. Xi, M. Y.; Wang, X. J.*; Ge, J.; Yin, D. L.*, N'-[(3-[benzyloxy]benzylidene]-3,4,5-trihydroxy-benzohydrazide (1) protects mice against colitis induced by dextran sulfate sodium through inhibiting NFkappaB/IL-6/STAT3 pathway. Biochem. Biophys. Res. Commun. 2016, 477, 290-296. (IF="2.6)
14. Xi, M. Y.; Ge, J.; Wang, X. J.*; Sun, C. B.; Liu, T. Q.; Fang, L.; Xiao, Q.; Yin, D. L.*, Development of hydroxy-based sphingosine kinase inhibitors and anti-inflammation in dextran sodium sulfate induced colitis in mice. Bioorg. Med. Chem. 2016, 24, 3218-3230. (IF="2.9)
15. Ge, J.; Wang, X. J.*; Liu, T. Q.; Shi, Z. Y.; Xiao, Q.; Yin, D. L.*, Assembly of substituted phenanthridines via a cascade palladium-catalyzed coupling reaction, deprotection and intramolecular cyclization. RSC Adv. 2016, 6, 19571-19575. (IF="2.9)
16. Fang, L.; Wang, X. J.*; Xi, M. Y.; Liu, T. Q.; Yin, D. L.*, Assessing the ligand selectivity of sphingosine kinases using molecular dynamics and MM-PBSA binding free energy calculations. Mol. BioSys. 2016, 12, 1174-1182. (IF="2.8)
17. Wang, X. J.*; Sun, C. B.; Fang, L.; Yin, D. L.*, Discovery of novel sphingosine kinase 1 inhibitors via structure-based hierarchical virtual screening. MedChemcom 2015, 6, 413-417.(IF="2.3)
18. Liu, T. Q.; Wang, X. J.*; Yin, D. L.*, Recent progress towards ionic hydrogenation:Lewis acid catalyzed hydrogenation using organosilanes as donors of hydride ions. RSC Adv. 2015, 5, 75794-75805. (IF="3.3)
19. Tian, Y. L.; Wang, X. J.*; Xiao, Q.; Sun, C. B.; Yin, D. l.*, Synthesis of Dihydrobenzoheterocycles through Al(OTf)3-Mediated Cascade Cyclization and Ionic Hydrogenation. J.Org. Chem. 2014, 79, 9678-9685. (IF="4.8)
20. Tian, Y. L.; Jin, J.; Wang, X. J.*; Hu, J. P.; Xiao, Q.; Zhou, W. Q.; Chen, X. G.; Yin, D. l.*, Discovery of oxazole and triazole derivatives as potent and selective S1P(1) agonists through pharmacophore-guided design. Eur. J. Med. Chem. 2014, 85, 1-15. (IF="3.9)
21. Qi, J. G.; Sun, C. B.; Tian, Y. L.; Wang, X. J.*; Li, G.; Xiao, Q.; Yin, D. L.*, Highly Efficient and Versatile Synthesis of Lactams and N-Heterocycles via Al(OTf)3-Catalyzed Cascade Cyclization and Ionic Hydrogenation Reactions. Org. Lett. 2014, 16, 190-192. (IF="6.7)
22. Zhang, X. J.; Li, X.; Sun, H. P.; Wang, X. J.; Zhao, L.; Gao, Y.; Liu, X. R.; Zhang, S. L.; Wang, Y. Y.; Yang, Y. R.; Zeng, S.; Guo, Q. L.; You, Q. D., Garcinia xanthones as orally active antitumor agents. J.Med.Chem. 2013, 56, 276-292. (IF="6.3)
23. Tian, Y. L.; Qi, J. G.; Sun, C. B.; Yin, D. l.; Wang, X. J.*; Xiao, Q., One-pot synthesis of 4-methylisoquinolines via a sequential Pd-catalyzed Heck reaction and intramolecular cyclization. Org. Biomol. Chem. 2013, 11, 7262-7266. (IF="3.5)
24. Wang, X. J.; Lu, N.; Yang, Q.; Gong, D. D.; Lin, C. J.; Zhang, S. L.; Xi, M. Y.; Gao, Y.; Wei, L. B.; Guo, Q. L.; You, Q. D., Studies on chemical modification and biology of a natural product, gambogic acid (III): determination of the essential pharmacophore for biological activity. Eur. J. Med. Chem. 2011, 46, 1280-1290. (IF="3.9)
New Approved Drugs in the World. Xiaojian Wang, Associate Editor. Chemical Industry Press.
1. 2011, 11th CPA-Servier young investigator Awards in Medicinal Chemistry.
2. 2015, Jiangsu Science and Technology Award First prize (No.6).
