Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 33941-15-0, is researched, Molecular C12H25NO5, about The dimer-monomer equilibrium of SARS-CoV-2 main protease is affected by small molecule inhibitors, the main research direction is equilibrium SARS CoV2 protease small mol inhibitor.Recommanded Product: 1,4,7,10,13-Pentaoxa-16-azacyclooctadecane.
Abstract: The maturation of coronavirus SARS-CoV-2, which is the etiol. agent at the origin of the COVID-19 pandemic, requires a main protease Mpro to cleave the virus-encoded polyproteins. Despite a wealth of exptl. information already available, there is wide disagreement about the Mpro monomer-dimer equilibrium dissociation constant Since the functional unit of Mpro is a homodimer, the detailed knowledge of the thermodn. of this equilibrium is a key piece of information for possible therapeutic intervention, with small mols. interfering with dimerization being potential broad-spectrum antiviral drug leads. In the present study, we exploit Small Angle X-ray Scattering (SAXS) to investigate the structural features of SARS-CoV-2 Mpro in solution as a function of protein concentration and temperature A detailed thermodn. picture of the monomer-dimer equilibrium is derived, together with the temperature-dependent value of the dissociation constant SAXS is also used to study how the Mpro dissociation process is affected by small inhibitors selected by virtual screening. We find that these inhibitors affect dimerization and enzymic activity to a different extent and sometimes in an opposite way, likely due to the different mol. mechanisms underlying the two processes. The Mpro residues that emerge as key to optimize both dissociation and enzymic activity inhibition are discussed.
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