Prospects of Computer-Aided Molecular Design of Coumarins as Ecotoxicologically Safe Plant Protection Agents

Coumarins are secondary plant metabolites widely distributed in higher plants, bacteria, fungi, and sponges. This great structural diversity of these natural compounds their synthesized derivatives enables wide range pharmacological activities, such as antioxidant; antibacterial; antifungal; anti-human immunodeficiency infection; anti-tubercular; anti-cancer which were very well reviewed previously. There also many reports about effectiveness against pathogenic pests (phytopathogenic nematodes, insects). These protect environmental enemies competing plants. However, there is still limited literature on coumarins’ practical applications agriculture, effects beneficial populations soil organisms. review summarizes recent knowledge the coumarins phytopathogens A separate section dedicated to poorly computer-aided molecular design (CAMD) methods agrochemicals. It CAMD techniques develop low-toxicity environmentally safe pesticides. Despite positive related protection, they do possess properties harmful environment health. described last section. Prediction coumarin hazardous using a quantitative structure-activity relationship (QSAR) approach was reviewed.