Wei Jun Xu


First name: Wei Jun

Surname: Xu

Web Site:


In year 2006, I completed my Bachelor of Science (Hons in Biochemistry) from the University of Queensland by taking a computer aided drug discovery research under supervision of Professor David Fairlie and Dr Martin Stoermer from IMB. The research involved virtual screening against a viral serine protease (West nile virus NS2B-NS3 protease) and a human cysteine protease, caspase-1 to discover non-peptidic organic compounds as putative inhibitors. Upon graduation, I went to Singapore to work as a lecturer in Singapore Polytechnic for 7 years. During the past several years I have always been missing my study and research life in Brisbane and this has driven me to return to Fairlie group recently to pursue a Ph.D grogram in Computer-aided Drug Discovery targeting various proteins such as proteases and GPCRs.


Fairlie group has the most up to date research facilities and strong expertise in both chemistry and biology field. I look forward to learning different aspects in drug design from the scientists in our lab.



1. Jing Deng, Ning Li, Hongchuan Liu, Zhili Zuo, Oi Wah Liew, Weijun Xu, Gang Chen, Xiankun Tong, Wei Tang, Jin Zhu, Jianping Zuo,Hualiang Jiang, Cai-Guang Yang, Jian Li,and Weiliang Zhu, Discovery of Novel Small Molecule Inhibitors of Dengue Viral NS2BNS3 Protease Using Virtual Screening and Scaffold Hopping, J. Med. Chem. 2012, 55, 6278 - 6293

2. Weijun Xu, Gang Chen, Weiliang Zhu, Zhili Zuo; Molecular docking and structure- activity relationship studies on benzothiazole based non-peptidic BACE-1 inhibitors. Bioorganic & Medicinal Chemistry Letters 2010, 20, 6203-6207

3. Weijun Xu, Gang Chen, Weiliang Zhu, Zhili Zuo
Identification of a sub-micromolar, non-peptide inhibitor of β-secretase with low neural cytotoxicity through in silico screening.
Bioorganic & Medicinal Chemistry Letters 2010, 20, 5763-5766

4. Weijun Xu, Gang Chen, Oi Wah Liew, Zhili Zuo, Huangliang Jiang, Weiliang Zhu. Novel Non-peptide β-secretase Inhibitors Derived from Structure-Based Virtual Screening and Bioassay.
Bioorganic & Medicinal Chemistry Letters 2009, 19, 3188-3192

5. Stoermer MJ, Chappell KJ, Liebscher S, Jensen CM, Gan CH, Gupta PK, Xu WJ, Young PR, Fairlie DP. Potent cationic inhibitors of West Nile virus NS2B/NS3 protease with serum stability, cell permeability and antiviral activity.
J Med Chem. 2008, 51, 5714-5721

6. Lili Chen, Jian Li, Cheng Luo, Hong Liu, Weijun Xu, Gang Chen, Oi Wah Liew, Weiliang Zhu, Chum Mok Puah, Xu Shen, Hualiang Jiang.
Binding interaction of quercetin-3-β-galactoside and its synthetic derivatives with SARS-CoV 3CLpro: Structure–activity relationship studies reveal salient pharmacophore features. 
Bioorganic & Medicinal Chemistry 2006, 14, 8295–8306


Former Group Members