Objectives: In this study, we implemented a structure-based virtual screening protocol in search of natural bioactive compounds in that could inhibit the viral M.
Methods: A library of twelve main bioactive compounds in was created from PubChem database by minimizing ligand structure in PyRx software to increase the ligand flexibility. Molecular docking studies were performed by targeting M (PDB ID: 6lu7) via Discovery Studio Visualiser and PyRx platforms.