Cytochrome P450 1A (CYP1A) is a subclass of enzymes involved in the biotransformation of heterocyclic amines, which are 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, a method is proposed for the study of protein-inhibitor interaction as an alternative to a QSAR analysis, using molecular mechanics force-fields.
Computational insight into anti-mutagenic properties of CYP1A flavonoid ligands / R., DA FONSECA; Marini, Michele; A., Melo; Menziani, Maria Cristina; MARIA J., Ramos. - In: MEDICINAL CHEMISTRY. - ISSN 1573-4064. - STAMPA. - 1:4(2005), pp. 355-360. [10.2174/1573406054368729]
Computational insight into anti-mutagenic properties of CYP1A flavonoid ligands
MARINI, Michele;MENZIANI, Maria Cristina;
2005
Abstract
Cytochrome P450 1A (CYP1A) is a subclass of enzymes involved in the biotransformation of heterocyclic amines, which are 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, a method is proposed for the study of protein-inhibitor interaction as an alternative to a QSAR analysis, using molecular mechanics force-fields.
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