Molecular docking of insect-based antimicrobial peptides and their target.

Introduction: Insecticides are used, nowadays, more frequently in the fields. Resistance has been developed against insecticides due to the genetic modification of the insects. Molecular docking is a key tool in structural molecular biology and computer-assisted drug design. This approach also estimates the ligand-receptor binding free energy by evaluating critical phenomena involved in the intermolecular recognition process. In silico molecular docking of antimicrobial peptides (AMPs) and inhibitors will be done using online software. Aim: This study aims to perform the molecular docking of AMPs and inhibitors. Materials and Methods: Structures of AMPs such as dermaseptin, pyrrhocoricin, drosocin, oncocin, apidaecin, and histatin-5 were downloaded from the NCBI PubChem database. Molecular docking of the selected AMPs with the target DNAk was performed using the online PatchDock server with default parameters. Results: Of the six AMPs chosen, dermaseptin, pyrrhocoricin, drosocin, oncocin, and apidaecin were found to have been making an interaction but histatin-5. Conclusion: New insecticides can be manufactured based on these antimicrobial peptides. [ABSTRACT FROM AUTHOR]