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.

Structure-activity relationships of hydroxylated flavone derivatives and their inhibitory action over human cytochrome P450 1A2 / R., DA FONSECA; A., Melo; Iori, Francesco; Menziani, Maria Cristina; M. J., Ramos. - In: MEDICINAL CHEMISTRY. - ISSN 1573-4064. - STAMPA. - 2:(2006), pp. 401-406.

Structure-activity relationships of hydroxylated flavone derivatives and their inhibitory action over human cytochrome P450 1A2

IORI, Francesco;MENZIANI, Maria Cristina;
2006

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.
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Structure-activity relationships of hydroxylated flavone derivatives and their inhibitory action over human cytochrome P450 1A2 / R., DA FONSECA; A., Melo; Iori, Francesco; Menziani, Maria Cristina; M. J., Ramos. - In: MEDICINAL CHEMISTRY. - ISSN 1573-4064. - STAMPA. - 2:(2006), pp. 401-406.
R., DA FONSECA; A., Melo; Iori, Francesco; Menziani, Maria Cristina; M. J., Ramos
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/455424
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