Next Article in Journal
Three-Dimensional Biologically Relevant Spectrum (BRS-3D): Shape Similarity Profile Based on PDB Ligands as Molecular Descriptors
Previous Article in Journal
Induction of Laccase, Lignin Peroxidase and Manganese Peroxidase Activities in White-Rot Fungi Using Copper Complexes
Open AccessArticle

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
*
Author to whom correspondence should be addressed.
Academic Editor: Alessandro Pedretti
Molecules 2016, 21(11), 1563; https://doi.org/10.3390/molecules21111563
Received: 4 October 2016 / Revised: 8 November 2016 / Accepted: 9 November 2016 / Published: 17 November 2016
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
Show Figures

Graphical abstract

MDPI and ACS Style

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

Show more citation formats Show less citations formats
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Access Map

1
Back to TopTop