From this finding, it could be inferred that neoxanthin would make a good adjuvant for drug formulation against ‘Alzheimer’s disease using anticholinesterase mechanism, and our result is significant because it is the first in silico study of the bioactive compounds present in Lycopersicon esculentum against AChE and BChE for the amelioration of ‘Alzheimer’s disease. Here, BCHE is linked to Alzheimer disease.