Global Antifungal Profile Optimization of Chlorophenyl Derivatives against Botrytis cinerea and Colletotrichum gloeosporioides

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2009-05-18Department
Química OrgánicaSource
J. Agric. Food Chem., 2009, vol. 57, pp. 4838–4843Abstract
Twenty-two aromatic derivatives bearing a chlorine atom and a different chain in the para or meta
position were prepared and evaluated for their in vitro antifungal activity against the phytopathogenic
fungi Botrytis cinerea and Colletotrichum gloeosporioides. The results showed that maximum inhibition
of the growth of these fungi was exhibited for enantiomers S and R of 1-(40-chlorophenyl)-
2-phenylethanol (3 and 4). Furthermore, their antifungal activity showed a clear structure-activity
relationship (SAR) trend confirming the importance of the benzyl hydroxyl group in the inhibitory
mechanism of the compounds studied. Additionally, a multiobjective optimization study of the
global antifungal profile of chlorophenyl derivatives was conducted in order to establish a rational
strategy for the filtering of new fungicide candidates from combinatorial libraries. The MOOPDESIRE
methodology was used for this purpose providing reliable ranking models that can be
used later.
Subjects
Antifungal; Botrytis cinerea; Colletotrichum gloeosporioides; Chlorophenyl derivatives; crop-protection agents; MOOP-DESIRE methodology; 3D molecular descriptorsCollections
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