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  • 09월 03일 23시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제122회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Computational Study on the Structural and Thermodynamic Properties of SOD1

등록일
2018년 8월 30일 16시 19분 57초
접수번호
2113
발표코드
PHYS.P-322 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
10월 19일 (금요일) 11:00~12:30
발표형식
포스터
발표분야
Physical Chemistry
저자 및
공동저자
Haeri Im, Sihyun Ham*
Nano/Bio Computational Chemistry Lab., Department of Chemistry, Sookmyung Women's University, Korea
Amyotrophic lateral sclerosis (ALS) is a selective dying disease of the spinal motor nerves. Although it is a progressive incurable disease, there is no proper treatment currently available. Excessive SOD1 and its mutants undergo protein aggregations in neurons, which are supposed to spread to adjacent cells, leading to the death of nerve cells. Therefore, the mutation of the SOD1 induces genetic ALS, and it is presumed that it plays a role in the sporadic type of non-genetic ALS disease. In this study, we investigate the effect of individual mutations on the structural and thermodynamic properties of the SOD1. We perform molecular dynamics simulations to probe structural changes induced by the mutations, and then carry out solvation free energy calculations to analyze thermodynamic features. Our study will contribute to an understanding of the SOD1 aggregation associated with ALS disease, and also provide the structural basis for developing drugs that inhibit the aggregation.

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