Quantitative structure-activity relationship of antifungal activity of rosin derivatives.

Basic Information

ID: ALA3352395

Journal: Bioorg Med Chem Lett

Title: Quantitative structure-activity relationship of antifungal activity of rosin derivatives.

Authors: Wang H, Nguyen TT, Li S, Liang T, Zhang Y, Li J.

Abstract: To develop new rosin-based wood preservatives with good antifungal activity, 24 rosin derivatives were synthesized, bioassay tested with Trametes versicolor and Gloeophyllum trabeum, and subjected to analysis of their quantitative structure-activity relationships (QSAR). A QSAR analysis using Ampac 9.2.1 and Codessa 2.7.16 software built two QSAR models of antifungal ratio for T. versicolor and G. trabeum with values of R(2)=0.9740 and 0.9692, respectively. Based on the models, tri-N-(3-hydroabietoxy-2-hydroxy) propyl-triethyl ammonium chloride was designed and the bioassay test result proved its better inhibitory effect against the two selected fungi as expected.

CiteXplore: 25466709

DOI: 10.1016/j.bmcl.2014.11.034

Patent ID: