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${omega}$-피리딜 알켄산의 형태와 활성간의 상관관계
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  • ${omega}$-피리딜 알켄산의 형태와 활성간의 상관관계
  • The Correlation Between Conformations and Activities of ${omega}$-Pyridylalkenoic Acids
저자명
이종달,도성탁,Rhee. Jong-Dal,Doh. Seong-Tak
간행물명
약학회지
권/호정보
1997년|41권 3호|pp.298-304 (7 pages)
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대한약학회
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정기간행물|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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기타언어초록

Molecular mechanics and conformation search methods were carried oyt to investigate the relationship between conformations and thromboxane synthetase ingibitory activities of om ega-pyridylalkenoic acids. The initial geometries of ${omega}$-pyridylalkenoic acids and heme part of cytochrome P-450 were obtained from MM+ geometry optimization. The bond lenths and angles were not varied by step during the conformation searching. Stable conformers of some ${omega}$-pyridylalkenoic acids were obtained by comformational search method. The distances were 8.5~10.8 ${AA}$- between N atom at 3-position of pyridine ring and C atom at carboxylic group of stable ${omega}$-pyridylalkenoic acids. The conformations of ${omega}$-pyridylalkenoic acids and heme part complex were determined by same method. In theses structures, benzene ring and ethylene group in ${omega}$-pyridylalkenoic acids are making the structure more rigid and increase inhbitory activity. The electron donating groups in C atom shich is connected to pyridine ring also increase activity.