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

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: R 2 Tv = 0.910 for Trametes versicolor and R 2 Gt = 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.

Novel quantitative structure–activity relationship model to predict activities of natural products against COVID‐19

“…With descriptors increased, R2 and R2cv gradually ascended, while the s2 continuously dropped. The three values tend to change slightly, until the number of parameter achieved 2, which is called "breaking point" (Liao et al, 2012;Yang et al, 2016). At the same time, it also meets the standard that the number of parameters (k) and the sample number (n) require: n ≥ 3 (k + 1).…”

Screening, Synthesis, and QSAR Research on Cinnamaldehyde-Amino Acid Schiff Base Compounds as Antibacterial Agents

“…According the structure molecule descriptors of the best QSAR model, three of the 10 cinnamaldehyde-amino acid Schiff bases with good predicted antibacterial activity were selected, synthesized, and the antibacterial activity was then tested. The structures of the three selected compounds are listed in Figure 4 , where compound A is used as a bioavailable dietary supplement for ruminant animals to provide essential amino acids and where it also has antimicrobial activity [ 30 ]. The structures of the 10 compounds were drawn and the calculated lgAR was listed in the Supplementary Materials , as shown in Figure S1 and Table S1 .…”

“…The paper disc method described in Reference [ 30 ] was used to measure the antibacterial activity of the new synthesized cinnamaldehyde compounds. Petri dishes and tweezers were packed with wasted newspaper and sterilized at 160 °C for 2 h in an oven.…”

Cinnamyl Schiff bases: synthesis, cytotoxic effects and antifungal activity of clinical interest

“…However, despite the recognized antimicrobial activities of these classes of compounds, there are few studies that address the biological activities of cinnamyl Schiff bases. In recent years, some works have explored the biological properties of Schiff bases derived from cinnamaldehydes and amino acids (Yang et al 2016;Wang et al 2016;Wang et al 2018). Nevertheless, there is still a gap in the literature about the antifungal properties of anilines derivatives cinnamyl Schiff bases.…”

“…In recent years, some works have explored the biological properties of Schiff bases derived from cinnamaldehydes and amino acids (Yang et al . 2016; Wang et al . 2016; Wang et al .…”