Molecular docking and toxicity assessment of spirodiclofen: protective role of lycopene.

In this study, toxic effects of spirodiclofen and protective role of lycopene against toxic effects were investigated by using physiological, cytogenetic, anatomical, and biochemical parameters. Allium cepa L. bulbs were used as test material. The bulbs were divided into six groups as one control and five application groups. Bulb in the control group was germinated with tap water, and in treatment groups, 20-mg L dose of spirodiclofen 215- and 430-mg L doses of lycopene were applied. Spirodiclofen application caused a decrease in physiological parameters such as germination percentage, root length, and weight increase. Spirodiclofen administration caused a decrease in the percentage of mitotic index (MI) and an increase in DNA fragmentation, micronucleus (MN), and chromosomal aberration (CA) frequency. Spirodiclofen application caused an increase in the level of the oxidant compound malondialdehyde (MDA), changes in the level of antioxidant enzymes, and disruption of the oxidant/antioxidant balance in the cell. Molecular interactions between spirodiclofen and antioxidant enzymes were determined by molecular docking analysis. In addition to physiological, biochemical, and genetic abnormalities, spirodiclofen also caused deformations in the anatomy of the A. cepa root tip meristematic cells. Lycopene treatment showed a protective effect by suppressing the toxic effects of spirodiclofen, causing a significant improvement in the values of selected physiological, cytogenetic, anatomical, and biochemical parameters. As a result, spirodiclofen insecticide caused toxic effects on various parameters in A. cepa, which is a eukaryotic model organism. In order to elucidate the toxicity mechanism, each parameter is associated with each other. Molecular docking method has revealed the effects of spirodiclofen on antioxidant enzymes. Lycopene application together with spirodiclofen resulted in the regression of all toxic effects and improvement in the root tissue. This result shows that lycopene has a strong protective property against spirodiclofen toxicity.