ACE-2-Derived Biomimetic Peptides for the Inhibition of Spike Protein of SARS-CoV-2

SARS-CoV-2, a novel coronavirus causing overwhelming death and infection worldwide, has emerged as pandemic. Compared to its predecessor SARS-CoV, SARS-CoV-2 is more infective for being highly contagious exhibiting tighter binding with host angiotensin-converting enzyme 2 (hACE-2). The entry of the virus into cells mediated by interaction spike protein hACE-2. Thus, peptide that resemblance hACE-2 but can overpower protein–hACE-2 will be potential therapeutic contain this virus. non-interacting residues in receptor-binding domain have been mutated generate library 136 new peptides. Out library, docking virtual screening discover seven peptides exert stronger than A derived from simultaneous mutation all yields almost three-fold thus turns out here best inhibitor coronavirus. explored further molecular dynamics, free energy, principal component analysis, which demonstrate efficacy compared delivery screened inhibitors nanocarriers like metal–organic frameworks worthy consideration boost their efficacy.