engleski

Rational approach for discovery of novel heterocyclic compounds for potential application in environmentally acceptable plant protection

The control of fungal pathogens, pests and weeds has made a crucial contribution to food provision worldwide by ensuring the harvested yield of the world’s crops. The appearance of drug resistance, environmental and health hazards indicates the urgent need for new active components in plant protection products. These compounds must be highly specific be environmentally and toxicologically acceptable. Computational design of future compounds and their synthesis, evaluation of their effectiveness on harmful and beneficial organisms in soil, as well as detail research mechanism of action at the molecular level, represents an initial stage in the long-lasting and expensive process of plant protection products. Quantitative structure-activity relationship study (QSAR) has the potential to estimate the risks of chemicals for environment and human health, reducing the time, monetary cost, and necessary animal testing. QSAR models serve for prediction of biological activities of new and untested compounds. Binding modes of the compounds on the target enzymes related to the specific biological activity are elucidate by the methods of molecular modelling. The quantitative structure-toxicity relationship (QSTR) technique allows prediction of toxicity effects for new compounds with proven biological activity related to plant protection. This lecture describes the procedure of design new compounds that represent potential active components of plant protection products from harmful fungi, nematodes and bacteria but without any adverse environmental and human health effects.

pesticides; heterocyclic compounds; plant protection; QSAR; QSTR

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