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Discovery of cannabinoid-1 receptor antagonists by virtual screening
- Lee, Gil Nam;
- Kim, Kwang Rok;
- Ahn, Sung-Hoon;
- Bae, Myung Ae;
- Kang, Nam Sook
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9초록
In this work, we tried to find a new scaffold for a CB1 receptor antagonist using virtual screening. We first analyzed structural features for the known cannabinoid-1 receptor antagonists and, then, we built pharmacophore models using the HipHop concept and carried out a docking study based on our homology CB1 receptor 3D structure. The most active compound, including thiazole-4-one moiety, showed an activity value of 125 nM IC(50), with a good PK profile. (C) 2010 Elsevier Ltd. All rights reserved.
키워드
CB1 antagonist; Virtual screening; Homology modeling; Pharmacophore; INVERSE AGONISTS; SR141716A
- 제목
- Discovery of cannabinoid-1 receptor antagonists by virtual screening
- 저자
- Lee, Gil Nam; Kim, Kwang Rok; Ahn, Sung-Hoon; Bae, Myung Ae; Kang, Nam Sook
- 발행일
- 2010-09-01
- 유형
- Article
- 권
- 20
- 호
- 17
- 페이지
- 5130 ~ 5132
- 언어
- ENG
- 출판사
- PERGAMON-ELSEVIER SCIENCE LTD
- 발행국가
- 영국
- 분량
- 3 페이지
- ISSN
- E 1464-3405
P 0960-894X