Enzymes play very important role in living organism as biocatalyst. They play vital role like secretion, metabolism, digestion, DNA functions, reproduction, conversation of molecules and many other functions of body. By inhibiting specific enzymes, we can cure numerous pathological conditions in humans like inhibiting HMG CoA reductase, we can decrease cholesterol synthesis which is very useful in atherosclerosis and also use for heart diseases. ACE inhibitors can reduce concentration of Angiotensin II and use to reduce blood pressure. Many of them use as pesticides and herbicides in agriculture field. The history says enzyme inhibitors are use as arrow poison and use to kill animals by developing paralysis in them. Using a digital technology scientist identified number of enzymes and their functions as well as their 3D structure. We can easily design their inhibitors and use as medicine to treat pathological conditions. So, enzyme inhibitors became first choice for medicinal chemist and scientist as a target and play extremely important role in future as medicinal compounds and became a safe option compared to other available options.