Collaboration Detail

This collaboration focuses on an in silico investigation of plant-derived phytocompounds targeting key insect endocrine-related proteins. The study involves molecular docking to identify stable protein–ligand interactions, followed by molecular dynamics simulations to evaluate the stability and conformational behavior of selected complexes. Two different plant extracts are being analyzed, with one top-ranked docked ligand from each extract selected for MD simulation. This is fresh, unpublished work, currently at the manuscript preparation stage, and collaboration is welcomed for computational analysis, interpretation, and manuscript development.