Bioactive peptides are currently emerging as nonpharmacological alternatives for treating noncommunicable diseases, including hypertension. Pharmacological treatments for hypertension typically involve angiotensin I converting enzyme inhibitors such as Captopril and enalapril. This study aimed to evaluate the activity of bioactive peptides derived from food sources against this enzyme and show its possible mechanism of inhibitory action. A comprehensive search was conducted in peptide databases to identify peptides with antihypertensive properties. Subsequently, docking studies, simulations, and predictive tests assessing ADME parameters, intestinal stability, and allergenicity were performed using bioinformatics tools. The docking and simulation results demonstrated that PEP2 exhibited superior ACE1 inhibitory potential compared to other peptides, even though it had lower human intestinal absorption. In conclusion, this study suggests that these peptides hold promising potential as nutraceuticals for hypertension treatment.