Immunocure provides virtual screening of novel agrochemicals to identify hits. we optimize the hits to pass green-house evaluation and field screening. Further, toxicity and the environmental effect is performed on the novel agrochemicals. Formulation / optimization is done by using in-silico methods.
Insecticides / pesticides / acaricides mainly control the insects and protect the crop from them for higher yield. There are pesticides available in the market but they are lacking broad-spectrum activity. Further insects becoming resistant to the repeated use of pesticides.
Immunocure uses bioinformatics tools for identifying the target (lethal) and comparative analysis with higher species to filter the toxicity issues.
Using structure-based and ligand-based chemoinformatic methods, we identify the hit and further perform IRS / ITN based filtering. Then, we Identify MOA of Hit class to avoid/minimize the selection of resistance to any one type of insecticide according to IRM. Optimization of the lead compound is done using scaffold hopping, combinatorial library enumeration, and docking/ML tools that help to identify the best possible agrochemical compounds.
The compounds were further screened with Immunocure’s inhouse Mammalian toxicity models, Environmental toxicity models, Mutagenicity models, and compound stability models. Thus we push the final compounds for field trials in less time using computational and machine learning methods.