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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 Synthesis, structure determination, and biological evaluation of phenylsulfonyl hydrazide derivatives as potential anti-inflammatory agents

등록일
2016년 9월 1일 15시 44분 07초
접수번호
2417
발표코드
MEDI.P-509 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
10월 13일 (목요일) 11:00~12:30
발표형식
포스터
발표분야
의약화학
저자 및
공동저자
정희락, 김광종, 박은별, 임지웅1, 이재균2, 이재열*
경희대학교 화학과, Korea
1경희대학교 융합과학기술학과, Korea
2한국과학기술연구원(KIST) 케모인포매틱스연구단, Korea

A novel series of phenylsulfonyl hydrazide derivatives were found to reduce LPS-induced PGE2 levels in RAW 264.7 macrophage cells via an inhibition of mPGES-1 enzyme. Recently, it was found that a regioisomeric mixture of phenylsulfonyl hydrazide was formed depending on the reaction conditions, which favor either of two regioisomers. One regioisomer corresponds to a kinetic product (7a-7c) and the other regioisomer corresponds to a thermodynamic product (8a-8c). Among them, the structure of kinetic product 7b was confirmed by measuring single X-ray crystallography. In vitro PGE2 assay studies showed that the kinetic product (7a and 7b; IC50 = 0.69 and 0.55 цM against PGE2) is generally more potent than the thermodynamic product (8a and 8b; IC50 = > 10 and 0.79 цM against PGE2). A molecular docking study also exhibited that the kinetic product (7a) has a higher MolDock Score (-147.4) than that of 8a (-142.4), which is consistent with the PGE2 assay results. A new potent phenylsulfonyl hydrazide (7d; IC50 = 0.06 цM against PGE2) without affecting COX-1 and COX-2 enzyme activities was identified based on these overall results.


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