Molecular Mechanics Potential Energy Function of Angiotensin-Converting Enzyme (ACE) Inhibitor, Lisinopril

Lisinopril (N²-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline) is a drug of the angiotensin-converting enzyme (ACE) inhibitor class used primarily in treatment of hypertension, congestive heart failure, and heart attacks, and also in preventing renal and retinal complications of diabetes. Molecular mechanics potential energy function of Lisinopril was performed by conformational analysis and geometry optimization method using ArgusLab 4.0.1 software. The minimum potential energy was calculated by geometry convergence function. The most feasible potential energy for lisinopril to act as angiotensin-converting enzyme (ACE) inhibitor was found to be 78.73178401 kcal/mol.