초록문의 abstract@kcsnet.or.kr

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현재 가능한 작업은 아래와 같습니다.
  • 02월 26일 17시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제115회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Chemiverse: Total service of Drug Discovery

2015년 2월 26일 16시 57분 29초
MEDI.P-963 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
4월 15일 (수요일) 16:00~19:00
저자 및
강경태, 김한조, 서영주, 정우성, 장병하, 윤정혁1,*
(주)이큐스앤자루 신약개발연구소, Korea
1(주)이큐스앤자루 -, Korea
Previously the medicinal chemists have depended on random screening or high-throughput screening(HTS) in drug discovery research, but currently the researchers use chemical filtering or simulation techniques using computing resources and cheminfomatics before actual experiment. The typical examples of these techniques are chemical filtering by molecular descriptors or prediction values using QSAR model and virtual screening. Chemical filtering and Virtual screening is an essential technique in current medicinal chemistry field to search new drug. It does not require the real chemicals and proteins, because of using computer simulation and then carries out actual experiment by the obtained result. And this technique demands less cost and time than the conventional high-throughput screening(HTS). For this reason, the virtual screening is widely used in drug discovery field. Furthermore, previously this technique is in the region of the experts, but currently the user is increasing due to release of simple and easy tools. In spite of many strong points, chemical filtering tools that is based on molecular descriptors, QSAR prediction tools or virtual screening tools are present, but the integrated solution or services for above-mentioned functions is not exist. Here we present the integrated service include chemical database to chemical purchase for actual experiment. The integrated service is a step by step progression. First, search chemical from database using specific condition, second, carry out virtual screening for finding druggable chemical structure. Finally, order the chemical and then do actual in vitro/in vivo test of chemical. This service can provide convenience and quickness in the medicinal chemistry field.