A study on piperine, active compound of black pepper

Abstract

Piperine, the most important compound of black pepper, is used for treating several diseases such as breast, colon, rectal, and stomach cancer. In this study, the thermodynamical properties of this molecule in blood were obtained by using DFT and HF at the level of B3LYP/6-31+g(d,p). The results of calculations are supported with the experimental literatüre knowledges. DFT and HF basis set calculations support to the each other as comparing theoretical calculations of the interactions taking place within the molecular species Keywords: Piperine, DFT and HF Abbreviations DFT density functional theory HF hartree-fock HOMO highest occupied molecular orbital LUMO lowest unoccupied molecular orbital FDA the food and drug administration CYP3A4 Cytochrome P450 3A4