Quantitative Structure-Antifungal Activity Relationships of Some Benzohydrazides against Botrytis cinerea
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- 作者：José ; L. Reino ; Liane Saiz-Urra ; Rosario Herná ; ndez-Galá ; n ; Vicente J. Ará ; n ; Peter B. Hitchcock ; James R. Hanson ; Maykel Perez Gonzalez ; Isidro G. Collado
- 刊名：Journal of Agricultural and Food Chemistry
- 出版年：2007
- 出版时间：June 27, 2007
- 年：2007
- 卷：55
- 期：13
- 页码：5171 - 5179
- 全文大小：247K
- 年卷期：v.55,no.13(June 27, 2007)
- ISSN：1520-5118
文摘
Fourteen benzohydrazides have been synthesized and evaluated for their in vitro antifungal activityagainst the phytopathogenic fungus Botrytis cinerea. The best antifungal activity was observed forthe N',N'-dibenzylbenzohydrazides 3b-d and for the N-aminoisoindoline-derived benzohydrazide 5.A quantitative structure-activity relationship (QSAR) study has been developed using a topologicalsubstructural molecular design (TOPS-MODE) approach to interpret the antifungal activity of thesesynthetic compounds. The model described 98.3% of the experimental variance, with a standarddeviation of 4.02. The influence of an ortho substituent on the conformation of the benzohydrazideswas investigated by X-ray crystallography and supported by QSAR study. Several aspects of thestructure-activity relationships are discussed in terms of the contribution of different bonds to theantifungal activity, thereby making the relationships between structure and biological activity moretransparent.