abs

학술발표회초록보기

초록문의 abstract@kcsnet.or.kr

결제문의 member@kcsnet.or.kr

현재 가능한 작업은 아래와 같습니다.
  • 03월 02일 17시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제109회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Structure-based Virtual Screening and Biological Assay for Matrix Metalloproteinase-1 inhibitors

등록일
2012년 2월 23일 16시 26분 21초
접수번호
1477
발표코드
MEDI.P-1025 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
4월 25일 (수요일) 18:00~21:00
발표형식
포스터
발표분야
의약화학
저자 및
공동저자
정종영, 노경태1
(사)분자설계연구소 신약개발팀, Korea
1연세대학교 생명공학과, Korea
Skin photoaging is a complex process involving a number of intrinsic and exogenous causes. Exogenous aging is caused by extrinsic harmful environments, which activate the decline of many physiological processes such as elasticity and melanogenesis control. The signal pathway activated by UV expresses MMP-1 to disrupt collagen structure in the skin tissue to culminate skin wrinkle and laxity. Generally MMP isozymes have multiple subsites near catalytic Zinc ion in Catalytic domain. These subsites determine substrates specificity of MMP isozymes. One MMP-1 structure have a large hydrophobic pocket of S1-prime subsite, which is the significant subsites near catalytic Zinc ion to determine substrate specificity in MMP family. The Pharmacophore query was designed based on this MMP-1 structure with a large S1-prime subsite. The pre-built chemical library with over 3.5 million compounds was filtered with several Zinc binding group substructures before virtual screening. This focused library was screened with pharmacophore query to select hit compounds, which insert substructures into the large S1-prime substite. Finally 20 hit compounds were selected as candidates of MMP-1 inhibitor and its inhibitory activity was evaluated on MMP-1 enzyme assay.

상단으로