• Period: Sep 2026 ~ Present

• Education

Mar 2021 ~ Present, B.S. candidate, Undergraduate student in Biology, Chungnam National University

• Project

(1) AI-Driven Design of Peptide Activators for SIRT6

• Summary

I am currently conducting research under the theme of “AI-based Design of Peptide Activators Targeting SIRT6.” SIRT6 is an NAD⁺-dependent deacetylase that regulates genome stability, DNA repair, glucose and lipid metabolism, and inflammation, and its reduced activity has been closely linked to aging, metabolic disorders, and cancer. Although a few small-molecule activators have been reported, their potency and specificity remain limited. This study therefore focuses on developing peptide-based activators that can enhance the catalytic activity of SIRT6. To achieve this, I analyze the structure of SIRT6, including its known allosteric activator-binding site and the regions that influence its catalytic conformation. I then leverage advanced AI-based protein design platforms such as RFdiffusion and ProteinMPNN to generate peptide candidates that bind these regions and stabilize an active state of the enzyme, with AlphaFold3 used to evaluate the predicted complex structures. The designed candidates are first assessed through molecular dynamics simulations and in silico docking to predict binding affinity and structural stability. Subsequent validation will involve in vitro deacetylase activity assays and cell-based analyses of SIRT6 substrates such as H3K9ac and H3K56ac. Ultimately, I aim to propose novel therapeutic candidates that restore SIRT6 function in age-related diseases.

• Contact: won0008310@gmail.com