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Relationship between antimold activity and molecular structure of cinnamaldehyde analogues.

Abstract：

:A quantitative structure-activity relationship (QSAR) modeling of the antimold activity of cinnamaldehyde analogues against of Aspergillus niger and Paecilomyces variotii was presented. The molecular descriptors of cinnamaldehyde analogues were calculated by the CODESSA program, and these descriptors were selected by best multi-linear regression method (BMLR). Satisfactory multilinear regression models of Aspergillus niger and Paecilomyces variotii were obtained with R(2)=0.9099 and 0.9444, respectively. The models were also satisfactorily validated using internal validation and leave one out validation. The QSAR models provide the guidance for further synthetic work.

journal_name

Bioorg Med Chem Lett

journal_title

Bioorganic & medicinal chemistry letters

authors

Zhang Y,Li S,Kong X

doi

10.1016/j.bmcl.2012.12.085

subject

Has Abstract

pub_date

2013-03-01 00:00:00

pages

1358-64

issue

5

eissn

0960-894X

issn

1464-3405

pii

S0960-894X(12)01680-0

journal_volume

23

pub_type

杂志文章

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