De-Xin Kong

Release time:Dec 24, 2019Edit:Browse times:

Personal Information

Basic Information



De-Xin Kong






College of Informatics, Huazhong Agricultural University 


1 Shizishan Jie, Hongshan Qu, Wuhan 430070, China




Research Interest

Chemoinformatics, Drug Design, Natural Products


Academic activities

Member of a council of Hubei Key Laboratory of Agricultural Bioinformatics; Senior Member of Chinese Pharmaceutical Association


Education and research experience

1995.9~1999.7:Dept. of Chemistry, Shandong Normal University, Undergraduate student

1999.9~2002.7:Dept. of Chemistry, Shandong Normal University, Master candidate

2002.9~2005.7:Marine Drug and Food Institute, Ocean University of China, Doctor candidate

2003.8~2005.1:Shanghai Institute of Materia Medica (SIMM), Chinese Acadamy of Sciences (CAS), visit student

2005.7~2008.12: Shandong Provincial Research Center for Bioinformatics Engineering and Technique, School of Life Sciences,Shandong University of Technology, Instructor

2009.1~present:College of Life Sciences and Technology, Huazhong Agricultural University, Associate professor, professor

2009.5~2009.11: International Centre for Science and High Technology of the United Nations Industrial Development Organization (ICS-UNIDO), Fellow (Training Programme)


Grants (Government-funded)

Biological Relevance Spectrum: algorithm and application in drug design (Grant number: 21075046), National Natural Science Foundation of China, 2011-2013.


3-Dimensional Biological Relevance Spectrum (BRS-3D): implementation and application in drug discovery (Grant number: 21275061), National Natural Science Foundation of China, 2013-2016.


Construction of the Natural Glycosides Database and Evolutionary Study of the Glycosylation Reaction (Grant number: 21977033), National Natural Science Foundation of China, 2020-2023.



Representative publications*for corresponding authors, # for first authors

1. Wang, D.; Li, Z. Y.; Liu, Y.; Chen, M.; Chen, N. H.; Zuo, Z. L.; Kong, D. X.*, Identification of novel monoamine oxidase selective inhibitors employing a hierarchical ligand-based virtual screening strategy. Future Medicinal Chemistry 2019, 11, 801-816.

2. Hu, B.; Kuang, Z.-K.; Feng, S.-Y.; Wang, D.; He, S.-B.; Kong, D.-X.*, Three-Dimensional Biologically Relevant Spectrum (BRS-3D): Shape Similarity Profile Based on PDB Ligands as Molecular Descriptors. Molecules 2016, 21, 1554.

3. Deng, Z.-L.; Du, C.-X.; Li, X.; Hu, B.; Kuang, Z.-K.; Wang, R.; Peng, S.-Y.; Zhang, H.-Y.; Kong, D.-X.*, Exploring the Biologically Relevant Chemical Space for Drug Discovery. Journal of Chemical Information and Modeling 2013, 53, 2820-2828.

4. Kong, D.-X.; Ren, W.; Lue, W.; Zhang, H.-Y.*, Do Biologically Relevant Compounds Have More Chance To Be Drugs? Journal of Chemical Information and Modeling 2009, 49, 2376-2381.

5. Shang, J.; Hu, B.; Wang, J.; Zhu, F.; Kang, Y.; Li, D.; Sun, H.; Kong, D. X.*; Hou, T.*, Cheminformatic Insight into the Differences between Terrestrial and Marine Originated Natural Products. Journal of chemical information and modeling 2018, 58, 1182-1193.

6. Shang, J.; Sun, H.; Liu, H.; Chen, F.; Tian, S.; Pan, P.; Li, D.; Kong*, D.; Hou, T.*, Comparative analyses of structural features and scaffold diversity for purchasable compound libraries. J Cheminform 2017, 9, 25.

7. Kong, D.-X.; Guo, M.-Y.; Xiao, Z.-H.; Chen, L.-L.; Zhang, H.-Y.*, Historical Variation of Structural Novelty in a Natural Product Library. Chemistry & Biodiversity 2011, 8, 1968-1977.

8. Kong, D.-X.; Jiang, Y.-Y.; Zhang, H.-Y.*, Marine natural products as sources of novel scaffolds: achievement and concern. Drug Discovery Today 2010, 15, 884-886.

9. Kong, D.-X.; Li, X.-J.; Zhang, H.-Y.*, Where is the hope for drug discovery? Let history tell the future. Drug Discovery Today 2009, 14, 115-119.

10. Kong, D.-X.; Li X.-J.; Tang, G.-Y.; Zhang, H.-Y.*, How Many Traditional Chinese Medicine Components Have Been Recognized by Modern Western Medicine? A Chemoinformatic Analysis and Implications for Finding Multicomponent Drugs. ChemMedChem 2008, 3:233-236.




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