new modified intelligent magnetic nanoparticles as a treatment for sars corona virus type 2 in silico

new modified intelligent magnetic nanoparticles as a treatment for sars corona virus type 2 in silico

the pandemic situation of the new coronavirus (sars-cov-2) forced drug designers to formulate a new intelligent drug for this disease which could be effective on all mutations of virus. one way to control the virus in all mutations is inhibition of spike glycoprotein (binding with angiotensin converting enzyme 2 (ace2) ) duo to inhibit the viral entry. viral entry is the first step for virus to start infection.

in this work the interactions of sars – cov – 2 spike glycoprotein and ace2 were evaluated insilico by docking process and four different ligands were estimated to simulate those interactions, so as to avoid bindings with ace2 needed for viral entry in reality. all ligand – receptor interactions were considered. results approved the suggested ligands in this work, have definite inhibitory effect on sars-cov-2 spike glycoprotein based on the interactions which they make with receptor binding domain (rbd). docking process was done repeatedly to assure conclusions are reliable.