New Perspective on Comparative Chemometric and Molecular Modeling of Antifungal Activity and Herbicidal Potential of Alkyl and Cycloalkyl s-Triazine Derivatives

The contamination of the environment by pesticides is becoming a burning issue in many countries World. Development, design, and synthesis new eco-friendly modification existing ones order to improve their efficacy with lowest impact on are two main future possibilities crop protection provision sufficient food for growing world population. present study focused comparative analysis series eight symmetrical triazine derivatives, as potential herbicide candidates acyclic (alkyl) cyclic (cycloalkyl) substituents, terms antifungal activity towards Aspergillus flavus an opportunistic fungal pathogenic microorganism responsible frequent contaminations crops aflatoxin, application herbicides maize, common wheat, barley, rice crops. applied methods include chemometric pattern recognition method (hierarchical cluster analysis), experimental microbiological (agar well-diffusion method), molecular docking triazines corresponding enzymes. findings conducted indicate significant studied derivatives A. flavus, particularly compounds substituents; five out could be systematic herbicides, while other three used contact herbicides; substituents more suitable various than substituents.