Quantitative structure activity considerations on the spore-inhibiting activity of esters of 1,3-dihydroxybutane.
Esters of 1,3-dihydroxybutane inhibit the growth of the asexual spores of Aspergillus niger. This activity is non-linearly related to lipophilic and steric parameters, e.g. partition coefficient, molecular connectivity and van der Waal's volumes. The gauche parabolic shape of the activity curve allows a transformation in a simple, bilinear mathematical model. Branched esters possess higher activity than the linear ones. The most potent molecule is the 2-ethylbutanoyl-1,3-dihydroxy-butane.
D001234:Aspergillus niger / Q000187:drug effects*; D002072:Butylene Glycols / Q000494:pharmacology*; D004952:Esters; D013172:Spores, Fungal / Q000187:drug effects; D013329:Structure-Activity Relationship
D002072:Butylene Glycols; D004952:Esters