In this study, we utilized molecular dynamics simulations to investigate the behavior and functioning of the envelope protein. This powerful computational technique allowed us to analyze the movement and interactions of atoms and molecules in a system over time. By conducting these simulations on the envelope protein, we aimed to understand its structural dynamics and identify potential drug binding sites. Furthermore, we employed virtual screening to pinpoint drugs that could bind to and inhibit the envelope protein. This computational method was used to screen large databases of compounds to identify potential drug candidates. Utilizing this technique enabled us to identify a set of compounds with a high probability of binding to the envelope protein and inhibiting its function. Overall, our study offers valuable insights into the behavior and functioning of the envelope protein and identifies potential drug candidates for developing therapeutic agents to combat COVID-19.