Understanding the mechanism of cytochrome P450 3A4: recent advances and remaining problems

A novel type of allosteric regulation: Functional cooperativity in monomeric proteins

(2012) Ilia G. Denisov et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Interaction of human cytochrome P4503A4 with ritonavir analogs

(2012) Irina F. Sevrioukova et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Conformational dynamics of CYP3A4 demonstrate the important role of Arg212 coupled with the opening of ingress, egress and solvent channels to dehydrogenation of 4-hydroxy-tamoxifen

(2012) Kiumars Shahrokh et al.   BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS

Contributions of Human Enzymes in Carcinogen Metabolism

(2012) Slobodan Rendic et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Cytochrome P450 3A4 Inhibition by Ketoconazole: Tackling the Problem of Ligand Cooperativity Using Molecular Dynamics Simulations and Free-Energy Calculations

(2012) Urban Bren et al.   Journal of Chemical Information and Modeling

Allosteric Activation of Cytochrome P450 3A4 by α-Naphthoflavone: Branch Point Regulation Revealed by Isotope Dilution Analysis

(2011) Caleb M. Woods et al.   BIOCHEMISTRY

The Structural Basis for Homotropic and Heterotropic Cooperativity of Midazolam Metabolism by Human Cytochrome P450 3A4

(2011) Arthur G. Roberts et al.   BIOCHEMISTRY

Dirlotapide as a model substrate to refine structure-based drug design strategies on CYP3A4-catalyzed metabolism

(2011) Hao Sun et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Binding free energies of inhibitors to iron porphyrin complex as a model for Cytochrome P450

(2011) Joo Yun Lee et al.   BIOPOLYMERS

Structural and Mechanistic Insights into the Interaction of Cytochrome P4503A4 with Bromoergocryptine, a Type I Ligand

(2011) Irina F. Sevrioukova et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Peripheral Ligand-binding Site in Cytochrome P450 3A4 Located with Fluorescence Resonance Energy Transfer (FRET)

(2011) Dmitri R. Davydov et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Structural differences between soluble and membrane bound cytochrome P450s

(2011) I.G. Denisov et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Defining CYP3A4 Structural Responses to Substrate Binding. Raman Spectroscopic Studies of a Nanodisc-Incorporated Mammalian Cytochrome P450

(2011) Piotr J. Mak et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Kinetics of electron transfer between NADPH-cytochrome P450 reductase and cytochrome P450 3A4

(2010) Yassar Farooq et al.   BIOCHEMICAL JOURNAL

Improved Cytochrome P450 3A4 Molecular Models Accurately Predict the Phe215 Requirement for Raloxifene Dehydrogenation Selectivity

(2010) Chad D. Moore et al.   BIOCHEMISTRY

Potent and selective inhibition of human cytochrome P450 3A4 by seco-pancratistatin structural analogs

(2010) James McNulty et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

How Does the Reductase Help To Regulate the Catalytic Cycle of Cytochrome P450 3A4 Using the Conserved Water Channel?

(2010) Dan Fishelovitch et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structure and mechanism of the complex between cytochrome P4503A4 and ritonavir

(2010) I. F. Sevrioukova et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Cobicistat (GS-9350): A Potent and Selective Inhibitor of Human CYP3A as a Novel Pharmacoenhancer

(2010) Lianhong Xu et al.   ACS Medicinal Chemistry Letters

Structure–activity studies on seco-pancratistatin analogs: Potent inhibitors of human cytochrome P450 3A4

(2009) James McNulty et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Selective cytochrome P450 3A4 inhibitory activity of Amaryllidaceae alkaloids

(2009) James McNulty et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Probing possible egress channels for multiple ligands in human CYP3A4: A molecular modeling study

(2009) Navaneethakrishnan Krishnamoorthy et al.   JOURNAL OF MOLECULAR MODELING

Theoretical Characterization of Substrate Access/Exit Channels in the Human Cytochrome P450 3A4 Enzyme: Involvement of Phenylalanine Residues in the Gating Mechanism

(2009) Dan Fishelovitch et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Cooperative properties of cytochromes P450

(2009) Ilia G. Denisov et al.   PHARMACOLOGY & THERAPEUTICS

Substrate binding to cytochromes P450

(2008) Emre M. Isin et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Heterotropic Cooperativity in Oxidation Mediated by Cytochrome P450

(2008) Toshiro Niwa et al.   CURRENT DRUG METABOLISM

Drugs Behave as Substrates, Inhibitors and Inducers of Human Cytochrome P450 3A4

(2008) Shu-Feng Zhou   CURRENT DRUG METABOLISM

Multiple Substrate Binding by Cytochrome P450 3A4: Estimation of the Number of Bound Substrate Molecules

(2008) Y. Kapelyukh et al.   DRUG METABOLISM AND DISPOSITION