Publications of Grazyna D. Szklarz, PhD

Human cytochrome P450 1A1 structure and utility in understanding drug and xenobiotic metabolism.
Walsh AA, Szklarz GD, Scott EE.
J Biol Chem. 2013;288(18):12932-12943.


The aryl hydrocarbon receptor interacts with nuclear factor erythroid 2-related factor 2 to mediate induction of NAD(P)H:quinoneoxidoreductase 1 by 2,3,7,8-tetrachlorodibenzo-p-dioxin.
Wang LY, He X, Szklarz GD, Bi Y, Rojanasakul Y, Ma Q.
Arch Biochem Biophys. 2013;537(1):31-38.

Resveratrol inhibits paraquat-induced oxidative stress and fibrogenic response by activating the nuclear factor erythroid 2-related factor 2 pathway.
He X, Wang L, Szklarz GD, Bi Y, Ma Q.
J Pharmacol Exp Ther. 2012;342(1):81-90.

Preferred binding orientations of phenacetin in CYP1A1 and CYP1A2 are associated with isoform-selective metabolism.
Huang Q, Deshmukh RS, Ericksen SS, Tu Y, Szklarz GD.
Drub Metab Dispos. 2012;40(12):2324-2331.


Differential oxidation of two thiophene-containing regioisomers to reactive metabolites by cytochrome P450 2C9.
Rademacher PM, Woods CM, Huang Q, Szklarz GD, Nelson SD.
Chem Res Toxicol. 2012;25(4):895-903.


Significant increase in phenacetin oxidation on L382V substitution in human cytochrome P450 1A2.
Huang Q, Szklarz GD.
Drub Metab Dispos. 2010;38(7):1039-1045.


The application of molecular modeling for prediction of substrate specificity in cytochrome P450 1A2 mutants.
Tu Y, Deshmukh RS, Sivaneri M, Szklarz GD.
Drub Metab Dispos. 2008;


Regiospecificity of human cytochrome P450 1A1-mediated oxidations: the role of steric effects.
Ericksen SS, Szklarz GD.
J Biomol Struct Dyn. 2005;23(3):243-256.

Orientation of phenacetin and acetaminophen within the active site of human cytochrome P450 1A1 and 1A2.
Deshmukh RS, Ericksen SS, Gannett PM, Szklarz GD.
Drug Metab Rev. 2004;36:68-68.

The effect of reciprocal active site mutations in human cytochromes P450 1A1 and 1A2 on alkoxyresorufin metabolism.
Liu J, Ericksen SS, Sivaneri M, Besspiata D, Fisher CW, Szklarz GD.
Arch Biochem Biophys. 2004;424(1):33-43.

Arachidonic and eicosapentaenoic acid metabolism by human CYP1A1: highly stereoselective formation of 17(R),18(S)-epoxyeicosatetraenoic acid.
Schwarz D, Kisselev P, Ericksen SS, Szklarz GD, Chernogolov A, Honeck H, Schunck WH, Roots I.
Biochem Pharmacol. 2004;67(8):1445-1457.

Characterization of substrate binding to cytochrome P450 1A1 using molecular modeling and kinetic analyses: case of residue 382.
Liu J, Ericksen SS, Besspiata D, Fisher CW, Szklarz GD.
Drub Metab Dispos. 2003;31(4):412-420.

Molecular modeling of cytochrome P450 1A1: enzyme-substrate interactions and substrate binding affinities.
Szklarz GD, Paulsen MD.
J Biomol Struct Dyn. 2002;20(2):155-162.

Influence of P450 3A4 SRS-2 residues on cooperativity and/or regioselectivity of aflatoxin B(1) oxidation.
Xue L, Wang HF, Wang Q, Szklarz GD, Domanski TL, Halpert JR, Correia MA.
Chem Res Toxicol. 2001;14(5):483-491.

Molecular modeling of mammalian cytochromes P450: application to study enzyme function.
Szklarz GD, Graham SE, Paulsen MD.
Vitam Horm. 2000;58:53-87.

Identification of selective mechanism-based inactivators of cytochromes P-450 2B4 and 2B5, and determination of the molecular basis for differential susceptibility.
Strobel SM, Szklarz GD, He Y, Foroozesh M, Alworth WL, Roberts ES, Hollenberg PF, Halpert JR.
J Pharmacol Exp Ther. 1999;290(1):445-451.

Structural determinants of progesterone hydroxylation by cytochrome P450 2B5: the role of nonsubstrate recognition site residues.
He YQ, Harlow GR, Szklarz GD, Halpert JR.
Arch Biochem Biophys. 1998;350(2):333-339.

Probing the active site of cytochrome P450 2B1: metabolism of 7-alkoxycoumarins by the wild type and five site-directed mutants.
Kobayashi Y, Fang X, Szklarz GD, Halpert JR.
Biochemistry. 1998;37(19):6679-6688.

Molecular basis of P450 inhibition and activation: implications for drug development and drug therapy.
Szklarz GD, Halpert JR.
Drub Metab Dispos. 1998;26(12):1179-1184.

Identification of three key residues in substrate recognition site 5 of human cytochrome P450 3A4 by cassette and site-directed mutagenesis.
He YA, He YQ, Szklarz GD, Halpert JR.
Biochemistry. 1997;36(29):8831-8839.

Significance of glycine 478 in the metabolism of N-benzyl-1-aminobenzotriazole to reactive intermediates by cytochrome P450 2B1.
Kent UM, Hanna IH, Szklarz GD, Vaz AD, Halpert JR, Bend JR, Hollenberg PF.
Biochemistry. 1997;36(39):11707-11716.

Molecular modeling of cytochrome P450 3A4.
Szklarz GD, Halpert JR.
J Comput Aided Mol Des. 1997;11(3):265-272.

Use of homology modeling in conjunction with site-directed mutagenesis for analysis of structure-function relationships of mammalian cytochromes P450.
Szklarz GD, Halpert JR.
Life Sci. 1997;61(26):2507-2520.

Secobarbital-mediated inactivation of cytochrome P450 2B1 and its active site mutants. Partitioning between heme and protein alkylation and epoxidation.
He K, He YA, Szklarz GD, Halpert JR, Correia MA.
J Biol Chem. 1996;271(42):25864-25872.

Interconversion of the androstenedione hydroxylase specificities of cytochromes P450 2B4 and 2B5 upon simultaneous site-directed mutagenesis of four key substrate recognition residues.
He YQ, Szklarz GD, Halpert JR.
Arch Biochem Biophys. 1996;335(1):152-160.

Elucidation of amino acid residues critical for unique activities of rabbit cytochrome P450 2B5 using hybrid enzymes and reciprocal site-directed mutagenesis with rabbit cytochrome P450 2B4.
Szklarz GD, He YQ, Kedzie KM, Halpert JR, Burnett VL.
Arch Biochem Biophys. 1996;327(2):308-318.

Site-directed mutagenesis as a tool for molecular modeling of cytochrome P450 2B1.
Szklarz GD, He YA, Halpert JR.
Biochemistry. 1995;34(44):14312-14322.

The mitochondrial environment is required for activity of the cholesterol side-chain cleavage enzyme, cytochrome P450scc.
Black SM, Harikrishna JA, Szklarz GD, Miller WL.
Proc Natl Acad Sci USA. 1994;91(15):7247-7251.


Site-directed mutagenesis of putative substrate recognition sites in cytochrome P450 2B11: importance of amino acid residues 114, 290, and 363 for substrate specificity.
Hasler JA, Harlow GR, Szklarz GD, John GH, Kedzie KM, Burnett VL, He YA, Kaminsky LS, Halpert JR.
Mol Pharmacol. 1994;46(2):338-345.

Application of 3-dimensional homology modeling of cytochrome P450 2B1 for interpretation of site-directed mutagenesis results.
Szklarz GD, Ornstein RL, Halpert JR.
J Biomol Struct Dyn. 1994;12(1):061-078.

Regulation of proteins in the cholesterol side-chain cleavage system in JEG-3 and Y-1 cells.
Black SM, Szklarz GD, Harikrishna JA, Lin D, Wolf CR, Miller WL.
Endocrinology. 1993;132(2):539-545.

Construction and function of fusion enzymes of the human cytochrome P450scc system.
Harikrishna JA, Black SM, Szklarz GD, Miller WL.
DNA Cell Biol. 1993;12(5):371-379.