engleski

In silico analysis of herbicides – impact on human health

Herbicides are chemical compounds intended for selective destruction of weeds. However, besides the target, weed toxicity, herbicides may exert various degrees of toxicity to offtarget organisms. Revealing their off‐target activities are of great interest in human health risk assessment processes since potentially everyone may be exposed to these compounds [1]. Hence, we have explored the collected data set of 509 approved herbicides for uncovering potential harmful effects of herbicides on human health. Experimental data have been gathered from literature and open accessed databases. Molecular descriptors have been computed using appropriate software. The models obtained by using in silico approaches revealed links between the toxic effects with the structural and physicochemical properties of specific classes of herbicides. The aim of the research has been to find structure‐ activity relationships (SAR) rules that would facilitate the synthesis of new herbicides that are less harmful for human health. References [1] V. I. Lushchak, T. M. Matviishyn, V. V. Husak, J. M. Storey and K. B. Storey, EXCLI J. 17 (2018) 1101‐ 1136.

herbicides ; human health ; toxicity

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