- para-Chloroamphetamine에 유도된 흥분작용에 대한 항우울 약물 Tricyclic Isoxazole 유도체들의 3D-QSAR 분석
- ㆍ 저자명
- 최민성,성낙도,명평근,Choi. Min-Sung,Sung. Nack-Do,Myung. Pyung-Keun
- ㆍ 간행물명
- 약학회지
- ㆍ 권/호정보
- 2011년|55권 2호|pp.91-97 (7 pages)
- ㆍ 발행정보
- 대한약학회
- ㆍ 파일정보
- 정기간행물| PDF텍스트
- ㆍ 주제분야
- 기타
To search a new anti-depressant agents against para-chloroamphetamine-induced excitation, three dimensional quantitative-structure relationships (3D-QSAR) models between structure of 3a,4-dihydro-3H-[1]-benzopyronao[4,3]isoxazoles (1-30) and thieir inhibitory activity against para-chloroamphetamine-induced excitation were performed and discussed quantitatively using comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) methods. From these basis on the findings, the optimized CoMSIA-2F model ($q^2$=0.793 and $r^2$=0.952) showed the best statistical results. And also, it is found that the para-chloroamphetamine inhibitory activity from the optimized CoMSIA-2F model was dependent on steric field (35.2%) and electrostatic field (64.8%) of tricyclic isoxazoles. Particularly, it is predicted that the inhibitory activity against para-chloroamphetamine-induced excitation will be able to increase by the designed compounds from the CoMSIA-2F model.