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Quantitative Structure Activity Relationship of Cinnamaldehyde Compounds against Wood-Decaying Fungi.
Yang, Dongmei; Wang, Hui; Yuan, Haijian; Li, Shujun.
Afiliación
  • Yang D; Key Laboratory of Bio-Based Material Science and Technology of the Ministry of Education, Northeast Forestry University, Harbin 150040, China. 13654659109@163.com.
  • Wang H; Key Laboratory of Bio-Based Material Science and Technology of the Ministry of Education, Northeast Forestry University, Harbin 150040, China. wh-snowis@outlook.com.
  • Yuan H; Key Laboratory of Bio-Based Material Science and Technology of the Ministry of Education, Northeast Forestry University, Harbin 150040, China. yhj_20077@163.com.
  • Li S; Key Laboratory of Bio-Based Material Science and Technology of the Ministry of Education, Northeast Forestry University, Harbin 150040, China. lishujun@nefu.edu.cn.
Molecules ; 21(11)2016 Nov 17.
Article en En | MEDLINE | ID: mdl-27869684
Cinnamaldehyde, of the genius Cinnamomum, 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 Trametes versicolor and Gloeophyllun 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 for Trametes versicolor and R²Gt = 0.926 for Gloeophyllun trabeum. Small errors between the experimental and calculated values of two designed compounds indicated that these two QSAR models have strong predictability and stability.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Acroleína / Trametes / Antifúngicos Tipo de estudio: Prognostic_studies Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2016 Tipo del documento: Article País de afiliación: China Pais de publicación: Suiza
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Acroleína / Trametes / Antifúngicos Tipo de estudio: Prognostic_studies Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2016 Tipo del documento: Article País de afiliación: China Pais de publicación: Suiza