Dr. Jian Hui Wu

My research focuses on the development of methods in Computational Biology & Chemistry, as well as the application of molecular modeling techniques to problems in Chemistry and Biology.

My recent research involves:

• Development of computer-based virtual screening techniques for hit discovery and novel methodology for the design of selective small-molecule modulators of specific protein/protein interactions.
• Studies of the structural and dynamic impact of drug-resistant mutations in drug targets, such as androgen receptor and EGFR, as well as design of small molecules to overcome mutation-related drug resistance in targeted cancer therapy.
• Discovery of potent small-molecule inhibitors of -glutamylcysteine synthetase and novel inhibitors of SARS main proteinase.
• Discovery of selective small-molecule modulators of Keap1/Nrf-2 pathways as novel inducers of phase II detoxifying enzymes.
• Optimization of initial hits by Organic Chemistry and development of protein family-oriented chemical library.