Molecular Interactions Between Human Cytochrome P450 1A2 and Flavone Derivatives

Title: Molecular Interactions Between Human Cytochrome P450 1A2 and Flavone Derivatives

Volume: 2 Issue: 4

Author(s): Maria Joao Ramos, Francesco Iori, Maria Cristina Menziani, Andre Melo and Rute da Fonseca

Affiliation:

Keywords: Flavonoids, cytochrome P450, CYP1A2, stabilization energy

Abstract: Activation by human cytochrome P450 1A2 (hCYP1A2) of heterocyclic amines is assumed to trigger of a number of carcinogenic processes. In this work, a group of natural inhibitors of human cytochrome P450 1A2 reported in literature has been theoretically analysed. These consist of flavone hydroxylated derivatives, natural compounds that exist in plants and associated products. Different theoretical/computational tools were used to describe the specific molecular interactions between these compounds and hCYP1A2. Based on this analysis, a method is proposed for helping the selection of specific molecular features that enhance protein-inhibitor interaction.

Cite this article as:

Joao Ramos Maria, Iori Francesco, Cristina Menziani Maria, Melo Andre and Rute da Fonseca , Molecular Interactions Between Human Cytochrome P450 1A2 and Flavone Derivatives, Medicinal Chemistry 2006; 2 (4) . https://dx.doi.org/10.2174/157340606777723988