The main objectives of the present study were (a) to explore and optimize the extraction conditions from the leaves of C. halicacabum and identify the phytoconstituents using GC and (b) to utilize in silico methods to evaluate anti-AD capabilities against selected targets (Aβ, AChE, and tau) and identify potential lead compounds that may be responsible for these features. The gene discussed is ACHE; the disease is Alzheimer disease.