121st General Meeting of the KCS

Type Poster Presentation
Area Physical Chemistry
Room No. Event Hall
Time 4월 20일 (금요일) 11:00~12:30
Code PHYS.P-76
Subject Ligand Screening Methodology Development Based on Protein Supramolecular Complex and NMR Metabolomics
Authors Yoonjin Um, Young Kee Chae*
Department of Chemistry, Sejong University, Korea
Abstract We are developing a novel approach to finding weak binders to a target protein by employing a supramolecular complex and NMR-based metabolomics. Our approach depends on a very fast exchange between free and bound state of the ligand. We can make the target protein look very large by forcing them to form aggregation or a supramolecular complex by adjusting the temperature or NaCl concentration. We also borrowed the concept of metabolomics which dealt with a mixture of many compounds. That is, instead of trying different compounds to the target protein one by one, we use a mixture of many compounds and look for a binder once and for all. To prove the feasibility of our concept, we used the maltose binding protein and glutathione S-transferase. We fused those two proteins to a polypeptide that could reversibly aggregate by elevating temperature. We also prepared C-13 labeled metabolites by growing E. coli or yeast in a minimal media supplemented with C-13 glucose. Our preliminary data shows that glucose or sucrose (MBP) and glycine, cysteine, or glutamic acid (GST) can be detected by this screening system. We hope this new method will facilitate the finding of lead compounds without relying on a large chemical library. . This work has been supported by Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education (NRF-2017R1D1A1A02017545).
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