Combining artificial intelligence biophysical methods to look for non-native protein-protein interactions on anti-cancer drug development.

  • Publication Date: 2020-04-03
Application Dept. G. I. of Genomics Bioinformatics
Principal Investigator Prof. Ming-Hon Hou
Project Title Combining artificial intelligence and biophysical methods to look for non-native protein-protein interactions on anti-cancer drug development.
Co-Principal Investigator Prof. Pi-Chung Wang, Dept. of Computer Science & Engineering
Co-Investigator A.P. Long-Yuan Li, Dept. of Life Science
Abstract Modulating protein oligomerization thus influencing its function by small molecules is a promising strategy in drug development. Currently, all of these kinds of therapeutic molecules are designed based on the native protein-protein interaction (PPI) interface. For the first time, our lab proposed a novel strategy to target the non-native PPI interface of MERS CoV N protein, by using which we identified a lead compound P3 to exhibit antiviral activity. In current proposal, we attempt to fully establish the platform of drug development based on targeting the non-native PPI. To address the goal, we will develop an automatic method for non-native PPI identification by artificial intelligence approach and validate the acquired compounds by bio-assays. We will integrate the above advances with our experiences in drug design and structural biology to establish a novel platform for drug development.