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학술발표회초록보기

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  • 09월 01일 18시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제118회 대한화학회 학술발표회, 총회 및 기기전시회 안내 3,4-Dihydroquinazoline Derivatives as Selective Butyrylcholinesterase Inhibitors

등록일
2016년 9월 1일 15시 29분 23초
접수번호
2408
발표코드
MEDI.P-507 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
10월 13일 (목요일) 11:00~12:30
발표형식
포스터
발표분야
의약화학
저자 및
공동저자
김진한, 박병연, 남지혜, 이재열*
경희대학교 화학과, Korea

A series of 3,4-dihydroquinazoline derivatives were evaluated as cholinesterase inhibitors. The results showed that most of compounds could inhibit butyrylcholinesterase (BChE) with IC50 values ranging from 5.3 into 0.045 M, with two of them moderately inhibiting also the acetylcholinesterase (AChE). In particular, KYS05080F and KYS05090S showed the most potent activity against BChE with IC50 values of 45 nM and 62 nM, as well as 146- and 161-fold higher affinity to BChE, respectively. Moreover, all compounds exhibited a weak or no inhibitory effect on amyloid-β (Aβ) (1-40) self-aggregation at 100 цM concentration. To understand the excellent activity of these compounds, molecular docking simulations were performed to get better insights into the mechanism of binding of 3,4-dihydroquinazoline derivatives. As expected KYS05080F and KYS05090S bind to both catalytic anionic site (CAS) and peripheral site (PS) of BChE with better interaction energy values than AChE, in agreement with our experimental data.


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