Computational Insight into Anti-mutagenic Properties of CYP1A Flavonoid Ligands

• Type: Article in International Scientific Journal
• Date: 2005

Authors

Rute da Fonseca (Author) Other; Michele Marini (Author) Other; Andre Melo (Author) FCUP; Maria Cristina Menziani (Author) Other; Maria Joao Ramos (Author) FCUP

Journal

Title: Medicinal Chemistry

Vol. 1

Pages: 355-360

ISSN: 1573-4064

Publisher: Bentham

Indexing

ISI Web of Knowledge - 0 Citations

Scopus - 1 Citation

Scientific classification

FOS: Medical and Health sciences > Basic medicine

Other information

Authenticus ID: P-000-35D

DOI: 10.2174/1573406054368729

Abstract (EN): Cytochrome P450 1A (CYP1A) is a subclass of enzymes involved in the biotransformation of heterocyclic amines present in cooked red meat to carcinogenic compounds. Anti-cancer properties have long been associated with flavonoids, and some compounds of this class have been shown to interact directly with CYP1A2. The understanding of this interaction is the purpose of this work. As the number of experimentally tested molecules is limited, two complementary methods in terms of information provided, are proposed for the study of protein-inhibitor interaction as alternatives to a QSAR analysis, using quantum mechanics as well as molecular mechanics.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 6