Research Theme

• Development of de novo macrocyclic peptides targeting virus-derived proteins for the treatment and prevention of viral infections

Keyword

• Macrocyclic peptide
• De novo design
• In silico
• Virus

Overview of Research

• Macrocyclic peptides have attracted attention as a novel modality that combines the advantages of small molecule drugs and antibody therapeutics. They are expected to serve as a next-generation drug discovery approach due to their characteristics of enabling relatively easy chemical synthesis like small molecules while possessing high target specificity like antibody drugs.
  
  Traditionally, the development of macrocyclic peptides has relied on chemical structure-based design and various screening methods for their acquisition. However, with the remarkable advances in computational science technologies in recent years, in silico de novo design has become feasible. Particularly, in silico-driven design approaches have achieved significant success in structural optimization of macrocyclic peptides targeting protein-protein interaction (PPI) interfaces.
  
  In this research, we will utilize these state-of-the-art in silico macrocyclic peptide de novo design technologies to develop novel macrocyclic peptide compounds targeting virus-derived proteins. Specifically, we aim to establish computational approaches that enable rapid therapeutic drug development against rapidly spreading viral infections, and work toward creating new therapeutic strategies.