Interaction of the New Inhibitor Paxlovid (PF-07321332) and Ivermectin With the Monomer of the Main Protease SARS-CoV-2: A Volumetric Study Based on Molecular Dynamics, Elastic Networks, Classical Thermodynamics and SPT
et al., Computational Biology and Chemistry, doi:10.1016/j.compbiolchem.2022.107692
In Silico study comparing ivermectin and paxlovid Mpro interaction, showing similar interaction for paxlovid and the ivermectin B1a homologue, a different mechanism for ivermectin B1b, and interaction at different sites for paxlovid.
Alvarado et al., 5/14/2022, peer-reviewed, 12 authors.
Contact:
alvaradoysaias@gmail.com, lgonzalezpaz@gmail.com.
In Silico studies are an important part of preclinical research, however results may be very different in vivo.
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