Estudos de modelagem molecular da piperina e CYP3A4 : a influência na biodisponibilidade de fármacos

Abstract

Piperine is the major alkaloid of Piper nigrum Linn., used as spice and in popular medicine. We present a molecular docking study supporting experimental data about the enhance in bioavailability of propranolol, theophylline, phenytoin, nevirapine, rifampicin, nimesulide, pyrazinamide , carbamazepine, and spartein in the presence of piperine. The complex formed with piperine and CYP3A4 was shown to be the most stable of all, with the binding energy of - 8.60 kcal/mol. This explain the related mechanism of interaction drug - herb, since the better anchoring of piperine in the active site of CYP3A4 can hinder the drug - enzyme interaction, increasing th e bioavailability of the considered drugs.