Innovations in Agrochemical Discovery and the Role of Metabolism, Bioavailability and Formulations

Pesticide durability and the evolution of resistance: A novel application of survival analysis

“…For example, the housefly ( Musca domestica ) appears to develop resistance to insecticides much more slowly than other species (Figure ). However, considering the possibilities outlined above, the housefly may evolve resistance more slowly because: 1) the species is inherently less evolvable due to a biological difference, 2) the housefly may encounter insecticides in houses and in and around livestock enclosures, enclosed facilities which may intensify selection pressure and contribute to a lack of gene flow, 3) the fly is perhaps of less economic importance than agricultural pests, and so fewer insecticides are applied against it, or 4) fewer resources are spent detecting resistance. Researchers familiar with each individual species will be able to contribute insight into the factors contributing to the survival curve analysis of each species.…”

Finding the Missing Property Concepts in Pesticide-Likeness

“…Harada et al also created a two-compartment pharmacokinetic model for acetamiprid. 33 Korolev proposed a calculative algorithm to assess the probability of cytochrome-P450mediated metabolic transformations of xenobiotic compounds in the human body. 34 Above all, these developed models may be effective and efficient for the assessment of the metabolism of pesticides.…”

“…To characterize the metabolic fates of clothianidin, dinotefuran, and imidacloprid in urine, Harada et al built a one-compartment pharmacokinetic model for these pesticides. Harada et al also created a two-compartment pharmacokinetic model for acetamiprid . Korolev proposed a calculative algorithm to assess the probability of cytochrome-P450-mediated metabolic transformations of xenobiotic compounds in the human body .…”

Applying molecular docking to pesticides

“…2 The application of computer technology to research into the creation of new pesticides has greatly improved its efficiency. 3,4 Molecular docking technology, one of the most representative computer methods, can enhance our ability to solve problems such as pesticide molecular target discovery, pesticide molecular design, pesticide resistance prediction, toxicological analysis, and environmental safety risk assessment. [5][6][7][8][9] Traditional methods of pesticide creation include random screening, analogous synthesis and natural active agent simulation, and these had an important role during the early stages of pesticide creation.…”

“…The use of pesticides not only saves labor, reduces the cost of agricultural products and improves economic efficiency, but also plays an important role in various aspects of plant growth, regulation, harvesting storage, preservation, transportation, and processing 2 . The application of computer technology to research into the creation of new pesticides has greatly improved its efficiency 3,4 . Molecular docking technology, one of the most representative computer methods, can enhance our ability to solve problems such as pesticide molecular target discovery, pesticide molecular design, pesticide resistance prediction, toxicological analysis, and environmental safety risk assessment 5–9 …”