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제124회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Methodology development of ligand screening by using NMR spectroscopy

2019년 8월 17일 11시 44분 43초
PHYS.P-141 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
10월 17일 (목요일) 11:00~12:30
Physical Chemistry
저자 및
Yoonjin Um, Young Kee Chae*
Department of Chemistry, Sejong University, Korea
We have been developing a new screening approach 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. And it is based on the hypothesis that any molecule that binds to a very large target protein will lose its NMR signal due to a very slow tumbling rate, which is, in fact, a fundamental phenomenon of NMR spectroscopy. 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. Our approach to making a very large target protein is through the formation of a supramolecular complex by using a polypeptide (ELP) that tends to aggregate, not get denatured, at slightly elevated temperatures. We selected the maltose binding protein (MBP) to prove our hypothesis. We predicted that MBP-ELP can detect analogues of maltose by this screening system. And we will also apply this method to compound complexes. 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).