Quantitative Structure Activity Relationship of Cinnamaldehyde Compounds against Wood-Decaying Fungi

Abstract

Cinnamaldehyde, of the genius <i>Cinnamomum</i>, is a major constituent of the bark of the cinnamon tree and possesses broad-spectrum antimicrobial activity. In this study, we used best multiple linear regression (BMLR) to develop quantitative structure activity relationship (QSAR) models for cinnamaldehyde derivatives against wood-decaying fungi <i>Trametes versicolor</i> and <i>Gloeophyllun trabeum</i>. Based on the two optimal QSAR models, we then designed and synthesized two novel cinnamaldehyde compounds. The QSAR models exhibited good correlation coefficients: <i>R</i>²<i>_Tv</i> = 0.910 for <i>Trametes versicolor</i> and <i>R</i>²<i>_Gt</i> = 0.926 for <i>Gloeophyllun trabeum</i>. Small errors between the experimental and calculated values of two designed compounds indicated that these two QSAR models have strong predictability and stability.