Quantitative structure-antifungal activity relationships of some benzohydrazides against Botrytis cinerea |
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Authors: | Reino José L Saiz-Urra Liane Hernandez-Galan Rosario Aran Vicente J Hitchcock Peter B Hanson James R Gonzalez Maykel Perez Collado Isidro G |
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Affiliation: | Departamento de Química OrgAnica, Facultad de Ciencias, Universidad de CAdiz, Apartado 40, 11510 Puerto Real, CAdiz, Spain. |
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Abstract: | Fourteen benzohydrazides have been synthesized and evaluated for their in vitro antifungal activity against the phytopathogenic fungus Botrytis cinerea. The best antifungal activity was observed for the 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 topological substructural molecular design (TOPS-MODE) approach to interpret the antifungal activity of these synthetic compounds. The model described 98.3% of the experimental variance, with a standard deviation of 4.02. The influence of an ortho substituent on the conformation of the benzohydrazides was investigated by X-ray crystallography and supported by QSAR study. Several aspects of the structure-activity relationships are discussed in terms of the contribution of different bonds to the antifungal activity, thereby making the relationships between structure and biological activity more transparent. |
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