Researchers discovered that three compounds, Aegelinosides B, Epicatechin, and Feruloyltyramine, from popular herbs are potential candidates for fighting SARS-CoV-2. These compounds were screened from 87 phytochemicals and identified based on their binding energy and structural stability through molecular dynamics analysis. Comparing to popular reference compounds, Aegelinosides B demonstrated the best result. Further drug-likeness and toxicity tests also support the effectiveness of these compounds. These findings may have implications for developing treatments against COVID-19.