Omega-피리딜 알켄산의 형태와 활성간의 상관관계

• 영문명: The Correlation Between Conformations and Activities of omega-Pyridylalkenoic Acids
• 발행기관: 대한약학회
• 저자명: 이종달(Jong Dal Rhee) 도성탁(Seong Tak Doh)
• 간행물 정보: 『약학회지』제41권 제3호 (1997년), 298~304쪽, 전체 7쪽
• 주제분류: 의약학 > 기타의약학
• 파일형태: PDF
• 발행일자: 1997.06.30

영문 초록

Molecular mechanics and conformation search methods were carried oyt to investigate the relationship between conformations and thromboxane synthetase ingibitory activities of omega-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 Angstrom 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.

키워드

Omega-Pyridylalkenoic acid Conformation Thromboxane synthetase inhibitor.