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Predictive Three-Dimensional Quantitative Structure−Activity Relationship of Cytochrome P450 1A2 Inhibitors

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Outgoing claims: the papers this work cites, builds on, or argues with.

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Quantitative Structure-Activity Relationships (QSAR) Study of Flavonoid Derivatives for Inhibition of Cytochrome P450 1A2

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Theoretical Study on the Metabolism of Caffeine by Cytochrome P‐450 1A2 and its Inhibition

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Fluvoxamine is a potent inhibitor of cytochrome P4501A2

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Multiple P450 substrates in a single run: rapid and comprehensive in vitro interaction assay

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On the recognition of mammalian microsomal cytochrome P450 substrates and their characteristics

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Structure-Related Inhibition of Human Hepatic Caffeine N3-Demethylation by Naturally Occurring Flavonoids

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Quinolone antibacterial agents: relationship between structure and in vitro inhibition of the human cytochrome P450 isoform CYP1A2.

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Predictive value of comparative molecular field analysis modelling of naphthalene inhibition of human CYP2A6 and mouse CYP2A5 enzymes

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Inter-individual differences in the metabolism of environmental toxicants: cytochrome P450 1A2 as a prototype

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Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 1. Ligand probe groups with the ability to form two hydrogen bonds

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Quantitative Structure−Activity Relationship Analysis of Inhibitors of the Nicotine Metabolizing CYP2A6 Enzyme

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Smart Region Definition: A New Way To Improve the Predictive Ability and Interpretability of Three-Dimensional Quantitative Structure−Activity Relationships

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3D-QSAR methods on the basis of ligand–receptor complexes. Application of COMBINE and GRID/GOLPE methodologies to a series of CYP1A2 ligands

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Theoretical investigation of substrate specificity for cytochromes P450 IA2, P450 IID6 and P450 IIIA4

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Human cytochrome P-450PA (P-450IA2), the phenacetin O-deethylase, is primarily responsible for the hepatic 3-demethylation of caffeine and N-oxidation of carcinogenic arylamines.

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Pronounced differences in inhibition potency of lactone and non-lactone compounds for mouse and human coumarin 7-hydroxylases (CYP2A5 and CYP2A6)

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Furafylline is a potent and selective inhibitor of cytochrome P450IA2 in man.

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GENERATION AND VALIDATION OF RAPID COMPUTATIONAL FILTERS FOR CYP2D6 AND CYP3A4

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A Human Drug Metabolism Database: Potential Roles in the Quantitative Predictions of Drug Metabolism and Metabolism-Related Drug-Drug Interactions

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