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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 40, Number 12
JKCSEZ 40(12)
December 20, 1996 

Structure-Activity Relationship. A Theoretical Study of 1-phenylpyrrolidine-2,5-diones on the Antifungal Activities

구조-활성 상관관계. 1-phenylpyrrolidine-2,5-dione 유사체의 Antifungal Activity에 관한 이론적 연구
Seongsik Park, Sang-Tae Choi, Sang-Yun Kim, Soo-Dong Yoh

1-phenylpyrrolidine-2,5-diones에 대한 형태분석을 통하여 구조-활성 상관관계를 검토하였다. Antifungal activity에 대한 구조적인 특징으로 활성기인 imide group(-NCO)와 벤젠 moiety가 존재하며, 강한활성을 나타내는 유사체의 N원자와 치환기간의 공간거리 N-X4는 5.318∼5.320 Å, 3,5-치환기간의 거리 X3-X5는 5.437∼6.072 Å을 나타내었다. 또한 여러 파라미터가 검토되었다.

The relationship between chemical structure and antifungal activity of benzene ring substituents of 1-phenylpyrrolidine-2,5-diones is studied by testing of model compounds and use of conformational data. The analysis revealed a number of structural features as essential for the antifungal effect: (1) the presence of an intact-NCO group and benzene moiety; (2) the distance between para substituents and the N atom within the 5.318∼5.320 Å range; (3) the distance between substituent X3 and X5 in the interval 5.437∼6.072 Å for the active analogues. And other parameters were discussed.

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