title: Quantitative structure-activity relationship of antifungal activity of rosin derivatives.
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.
authors.affiliation: Key Laboratory of Bio-Based Material Science and Technology of the Ministry of Education, Northeast Forestry University, Harbin 150040, China.
authors.forename: Hui
authors.initials: H
authors.lastname: Wang
authors.affiliation: Key Laboratory of Bio-Based Material Science and Technology of the Ministry of Education, Northeast Forestry University, Harbin 150040, China; Vietnam Forestry University, Xuan Mai, Ha Noi, Viet Nam.
authors.forename: Thi Thanh Hien
authors.initials: TT
authors.lastname: Nguyen
authors.affiliation: Key Laboratory of Bio-Based Material Science and Technology of the Ministry of Education, Northeast Forestry University, Harbin 150040, China. Electronic address: lishujun@nefu.edu.cn.
authors.forename: Shujun
authors.initials: S
authors.lastname: Li
authors.affiliation: Key Laboratory of Bio-Based Material Science and Technology of the Ministry of Education, Northeast Forestry University, Harbin 150040, China.
authors.forename: Tao
authors.initials: T
authors.lastname: Liang
authors.affiliation: Key Laboratory of Bio-Based Material Science and Technology of the Ministry of Education, Northeast Forestry University, Harbin 150040, China.
authors.forename: Yuanyuan
authors.initials: Y
authors.lastname: Zhang
authors.affiliation: Key Laboratory of Bio-Based Material Science and Technology of the Ministry of Education, Northeast Forestry University, Harbin 150040, China.
authors.forename: Jian
authors.initials: J
authors.lastname: Li
mesh_terms: D000935:Antifungal Agents / Q000737:chemistry* / Q000494:pharmacology*; D001487:Basidiomycota / Q000145:classification / Q000187:drug effects*; D006801:Humans; D015394:Molecular Structure; D021281:Quantitative Structure-Activity Relationship; D012116:Resins, Plant / Q000737:chemistry*
chemical_list: D000935:Antifungal Agents; D012116:Resins, Plant; C013893:rosin
keywords: Antifungal activity; Codessa; New compound design; Quantitative structure–activity relationships (QSAR); Rosin derivatives