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4. The miR-181a-5p may target and inhibit SIRT1 expression, thus suppressing GC viability by regulating viability-related key genes.Background The SARS-CoV-2 3CLpro is one of the primary targets for designing new and repurposing known drugs. Methodology A virtual screening of molecules from the Natural Product Atlas was performed, followed by molecular dynamics simulations of the most potent inhibitor bound to two conformations of the protease and into two binding sites. Conclusion Eight molecules with appropriate ADMET properties are su