title: Quantitative Structure Activity Relationship of Cinnamaldehyde Compounds against Wood-Decaying Fungi.
abstract: Cinnamaldehyde, of the geniusCinnamomum, 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 fungiTrametes versicolorandGloeophyllun trabeum. Based on the two optimal QSAR models, we then designed and synthesized two novel cinnamaldehyde compounds. The QSAR models exhibited good correlation coefficients:R²Tv= 0.910 forTrametes versicolorandR²Gt= 0.926 forGloeophyllun trabeum. Small errors between the experimental and calculated values of two designed compounds indicated that these two QSAR models have strong predictability and stability.
authors.affiliation: Key Laboratory of Bio-Based Material Science and Technology of the Ministry of Education, Northeast Forestry University, Harbin 150040, China. 13654659109@163.com.
authors.forename: Dongmei
authors.initials: D
authors.lastname: Yang
authors.affiliation: Key Laboratory of Bio-Based Material Science and Technology of the Ministry of Education, Northeast Forestry University, Harbin 150040, China. wh-snowis@outlook.com.
authors.forename: Hui
authors.initials: H
authors.lastname: Wang
authors.affiliation: Key Laboratory of Bio-Based Material Science and Technology of the Ministry of Education, Northeast Forestry University, Harbin 150040, China. yhj_20077@163.com.
authors.forename: Haijian
authors.initials: H
authors.lastname: Yuan
authors.affiliation: Key Laboratory of Bio-Based Material Science and Technology of the Ministry of Education, Northeast Forestry University, Harbin 150040, China. lishujun@nefu.edu.cn.
authors.forename: Shujun
authors.initials: S
authors.lastname: Li
mesh_terms: D000171:Acrolein / Q000031:analogs & derivatives* / Q000737:chemistry / Q000494:pharmacology; D000935:Antifungal Agents / Q000737:chemistry / Q000494:pharmacology*; D008826:Microbial Sensitivity Tests; D021281:Quantitative Structure-Activity Relationship; D055454:Trametes / Q000187:drug effects*; D014934:Wood / Q000382:microbiology
chemical_list: D000935:Antifungal Agents; D000171:Acrolein; C012843:cinnamaldehyde
keywords: QSAR models; cinnamaldehyde; derivatives; design; wood-decaying fungi