Molecular interactions between human cytochrome P450 1A2 and flavone derivatives

• Type: Article in International Scientific Journal
• Date: 2006

Authors

da Fonseca, R (Author) Other; Melo, A (Author) FCUP; Iori, F (Author) Other; Menziani, C (Author) Other; Ramos, MJ (Author) FCUP

Journal

Title: Medicinal Chemistry

Vol. 2

Pages: 401-406

ISSN: 1573-4064

Publisher: Bentham Science

Indexing

ISI Web of Knowledge

Scopus - 0 Citations

Other information

Authenticus ID: P-007-FX3

DOI: 10.2174/157340606777723988

Abstract (EN): 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. © 2006 Bentham Science Publishers Ltd.

Language: English

Type (Professor's evaluation): Scientific