Hansch와 Free-Wilson 방법에 의한 헤테로 고리 치환 chalcone 유도체들의 farnesyl protein transferase 저해활성에 대한 정량적 구조 활성 관계(QSAR)의 분석

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Title
Hansch와 Free-Wilson 방법에 의한 헤테로 고리 치환 chalcone 유도체들의 farnesyl protein transferase 저해활성에 대한 정량적 구조 활성 관계(QSAR)의 분석
Author(s)
Nack Do Sung; Seong Jae Yu; Pyung Keun Myung; Byoung-Mog Kwon
Bibliographic Citation
Journal of Korean Society of Agricul Chem Biot, vol. 43, no. 2, pp. 95-99
Publication Year
2000
Abstract
A series of hetero ring (X) substitued chalcone derivatives with farnesyl protein transferase (FPTase) inhibition activities (pI_(50)) values determined in vitro is analyzed by modified Free-Wilson (F-W) and Hansch method for quantitative structure activity relationship (QSARs). On the basis of F-W analysis on the FPTase inhibitory activity of a training set of the compounds, none of the (X)-substituents were not contribute the activity. But the net charge of α carbon atom is contribute the activity than that of β carbon atom. And the relative orders of the (Y)-substituents on the activity are ortho$gt;meta$gt;para-substituents. According to Hansch approach, the activities would depend largely on the optimal, (R_(opt)=-0.35) resonance effect with ortho substituted (I_o$gt;0) electron donating group (R$lt;0) and STERIMOL parameter, B₁ constant. The inhibition activity between hetro ring substituents have been a proportioned with each others and none substituent(H), 45 showed the highest FPTase inhibition (pI_(50))=4.30) activity.
Keyword
hetero ring sub. chalconesQSARFPTase inhibition activityFree-Wilsom & Hansch method
ISSN
0368-2897
Publisher
Korea Soc-Assoc-Inst
Type
Article
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1. Journal Articles > Journal Articles
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