구조-활성관계 (제 2 보). Folate 유사체의 구조와 활성

To find out a correlation between anti-folate activity and physical properties of folate analogues, geometric parameters, dipole moment, net charges, HOMO and LUMO energies were calculated. The electronic properties do not give any correlations with inhibition of folate reductase, but the calculated...

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Veröffentlicht in:Journal of the Korean Chemical Society 1993, Vol.37 (4), p.448-452
Hauptverfasser: 박성식(Seongsik Park), 여수동(Soo-Dong Yoh)
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container_issue 4
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container_title Journal of the Korean Chemical Society
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creator 박성식(Seongsik Park)
여수동(Soo-Dong Yoh)
description To find out a correlation between anti-folate activity and physical properties of folate analogues, geometric parameters, dipole moment, net charges, HOMO and LUMO energies were calculated. The electronic properties do not give any correlations with inhibition of folate reductase, but the calculated geometries show some correlations. Folate 유사체의 anti-folate 활성과 물리적 성질의 상관성을 찾기 위하여 기하구조 파라미터, 쌍극자 모멘트, net charg, HOMO, LUMO 에너지 등 전자의 구조적 특성을 MM2와 MOT에 의해 검토하였다. 전자적 성질은 folate 유사체의 inhibition과 어떠한 상관성도 보이지 않았으며 형태분석에 의한 기하구조 파라미터가 상관성을 나타내었다.
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title 구조-활성관계 (제 2 보). Folate 유사체의 구조와 활성
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