The MD and MM-GBSA calculation data further indicated that MPK1/Quercetin and TP53/Kaempferol possessed the highest binding free energy, which demonstrated the repurposing possibilities of quercetin and kaempferol based on their binding activity with multiple COVID-19 targets, and supported their ability to function as anti-SARS-CoV-2. Here, TP53 is linked to COVID-19.