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Molecules 2016, 21(11), 1563; doi:10.3390/molecules21111563

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

Key Laboratory of Bio-Based Material Science and Technology of the Ministry of Education, Northeast Forestry University, Harbin 150040, China
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Academic Editor: Alessandro Pedretti
Received: 4 October 2016 / Revised: 8 November 2016 / Accepted: 9 November 2016 / Published: 17 November 2016
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Abstract

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. View Full-Text
Keywords: cinnamaldehyde; derivatives; QSAR models; design; wood-decaying fungi cinnamaldehyde; derivatives; QSAR models; design; wood-decaying fungi
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Yang, D.; Wang, H.; Yuan, H.; Li, S. Quantitative Structure Activity Relationship of Cinnamaldehyde Compounds against Wood-Decaying Fungi. Molecules 2016, 21, 1563.

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