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✦   LIBER   ✦

Chemometric QSAR studies of antifungal azoxy compounds

✍ Scribed by Kiyoshi Hasegawa; Takeo Deushi; Hiroshi Yoshida; Yoshikastu Miyashita; Shin-ichi Sasaki

Book ID
104631689
Publisher
Springer Netherlands
Year
1994
Tongue
English
Weight
446 KB
Volume
8
Category
Article
ISSN
0920-654X

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✦ Synopsis

Quantitative structure-activity relationships (QSARs) for 16 azoxy compounds with antifungal activity have been studied by the combined approach of a partial least-squares method and factorial design. The PLS model equation suggested the structural requirements of two substituents, R1 and R2, for the antifungal activity. The sterically bulky and hydrophobic R 1 substituents and electron-withdrawing R 2 substituents are favorable for the activity. We propose candidate compounds which are more potent than the compounds based on QSAR data. In this study, we show that the chemometric approach is a powerful tool for QSAR studies and drug design.

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