In Silico Identification of New Anti-SARS-CoV-2 Main Protease (M<sup>pro</sup>) Molecules with Pharmacokinetic Properties from Natural Sources Using Molecular Dynamics (MD) Simulations and Hierarchical Virtual Screening

<div> Image showing the bioavailability radars of the 4 final drug candidates. ZINC000254823011, ZINC000013627512, and ZINC000009418994 are not orally bioavailable because their red line radars do not lie within the pink region. ZINC000072307130 is orally bioavailable; its red line radar falls within the pink region.</div>

Journal of Tropical Medicine

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Figure 8

Figure 8: In Silico Identification of New Anti-SARS-CoV-2 Main Protease (M<sup>pro</sup>) Molecules with Pharmacokinetic Properties from Natural Sources Using Molecular Dynamics (MD) Simulations and Hierarchical Virtual Screening 

Figure 8 | In Silico Identification of New Anti-SARS-CoV-2 Main Protease (Mpro) Molecules with Pharmacokinetic Properties from Natural Sources Using Molecular Dynamics (MD) Simulations and Hierarchical Virtual Screening 