The Furanocoumarins are a class of organic chemical compounds produced by a variety of plants. Most of the plant species found to contain furanocoumarins belong to a handful of plant families. The families Apiaceae and Rutaceae include the largest numbers of plant species that contain furanocoumarins. Furanocoumarins have many biological effects . For example, in human bergamottin and 6`,7`- dihydroxybergamottin are responsible for the grape fruit effect , in which these furanocoumarins affect certain CYP450 enzymes, such as the inhibition of CYP450 enzyme which either activate or inactivate many drugs. In many studies, researchers have found that grape fruit juice mainly inhibit the activity of CYP450 enzyme and resulting in an increase in the bioavailability and toxicity of some drugs primarily metabolized by this enzymes. In our study, furanocoumarin such as Bergamottin, Bergaptol, Bergapten, Xanthotoxol, Coriandrin, Psoraleden, Psoralen, Isopimpinellin, Imperatorin were checked for their interaction with the CYP450 enzymes, selectively CYP450 1A1, CYP450 1A2, CYP450 3A4, CYP450 2E1, for drug activation and inactivation. In-silico method of Auto docking were used for studying the various interaction of furanocoumarins with CYP450 enzyme and the best binding energy with efficient interaction are reported in our work.