Path C - Module 24: Peptide Synthesis

In addition to synthetic inhibitors, Mpro works on its own viral polyprotein. To understand how the enzyme works, it is useful to have the natural substrate.

In this module, you will learn to use build_peptide() to synthesize the nsp4-nsp5 cleavage site (AVLQS), which is the natural target of the protease.

import molsysmt as msm
from molsysmt import systems

# Build the natural substrate peptide
substrate = msm.build.build_peptide('AVLQS')

print(f"Natural substrate synthesized. Atoms: {msm.get(substrate, element='system', n_atoms=True)}")
msm.view(substrate)