학술논문
In silico target identification of biologically active compounds using an inverse docking simulation
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- 영문명
- 발행기관
- 셀메드 세포교정의약학회
- 저자명
- Youngjin Choi
- 간행물 정보
- 『셀메드』Volume 3 Issue 2, 1~4쪽, 전체 4쪽
- 주제분류
- 의약학 > 의학일반
- 파일형태
- 발행일자
- 2013.05.31
무료
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국문 초록
영문 초록
Identification of target protein is an important procedure in the course of drug discovery. Because of complexity, action mechanisms of herbal medicine are rather obscure, unlike small-molecular drugs.
Inverse docking simulation is a reverse use of molecular docking involving multiple target searches for known chemical structure. This methodology can be applied in the field of target fishing and toxicity prediction for herbal compounds as well as known drug molecules. The aim of this review is to introduce a series of in silico works for predicting potential drug targets and side-effects based on inverse docking simulations.
목차
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