Quantitative structure-activity relationships of 2, 4-diamino-5-(2-X-benzyl) pyrimidines versus bacterial and avian dihydrofolate reductase

CD Selassie, WX Gan, LS Kallander…

Index: Selassie, Cynthia Dias; Gan, Wei-Xi; Kallander, Lara S.; Klein, Teri E. Journal of Medicinal Chemistry, 1998 , vol. 41, # 22 p. 4261 - 4272

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Citation Number: 21

Abstract

Quantitative structure-activity relationships (QSAR) have been formulated for a set of 15 2, 4- diamino-5-(2-X-benzyl) pyrimidines versus dihydrofolate reductase from Lactobacillus casei and chicken liver. QSARs were also developed for comprehensive data sets containing mono-, di-, and trisubstituted benzyl derivatives. Particular emphasis was placed on the role played by ortho substituents in the overall binding process and subsequent inhibition of ...