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Items: 1 to 50 of 305

1.

Conformational Response of N-Terminally Truncated Cytochrome P450 3A4 to Ligand Binding in Solution.

Chuo SW, Liou SH, Wang LP, Britt RD, Poulos TL, Sevrioukova IF, Goodin DB.

Biochemistry. 2019 Sep 17;58(37):3903-3910. doi: 10.1021/acs.biochem.9b00620. Epub 2019 Sep 6.

PMID:
31456404
2.

On the occurrence of cytochrome P450 in viruses.

Lamb DC, Follmer AH, Goldstone JV, Nelson DR, Warrilow AG, Price CL, True MY, Kelly SL, Poulos TL, Stegeman JJ.

Proc Natl Acad Sci U S A. 2019 Jun 18;116(25):12343-12352. doi: 10.1073/pnas.1901080116. Epub 2019 Jun 5.

3.

Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.

Do HT, Li H, Chreifi G, Poulos TL, Silverman RB.

J Med Chem. 2019 Mar 14;62(5):2690-2707. doi: 10.1021/acs.jmedchem.8b02032. Epub 2019 Feb 25.

PMID:
30802056
4.

Ligand and Redox Partner Binding Generates a New Conformational State in Cytochrome P450cam (CYP101A1).

Follmer AH, Tripathi S, Poulos TL.

J Am Chem Soc. 2019 Feb 13;141(6):2678-2683. doi: 10.1021/jacs.8b13079. Epub 2019 Jan 31.

PMID:
30672701
5.

Correction to Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.

Cinelli MA, Li H, Chreifi G, Poulos TL, Silverman RB.

J Med Chem. 2019 Jan 24;62(2):1075. doi: 10.1021/acs.jmedchem.8b02033. Epub 2019 Jan 11. No abstract available.

PMID:
30633512
6.

Correction to Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.

Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.

J Med Chem. 2019 Jan 24;62(2):1074. doi: 10.1021/acs.jmedchem.8b01866. Epub 2018 Dec 28. No abstract available.

PMID:
30592215
7.

Substrate-Dependent Allosteric Regulation in Cytochrome P450cam (CYP101A1).

Follmer AH, Mahomed M, Goodin DB, Poulos TL.

J Am Chem Soc. 2018 Nov 28;140(47):16222-16228. doi: 10.1021/jacs.8b09441. Epub 2018 Nov 13.

PMID:
30376314
8.

Structural Basis for Isoform Selective Nitric Oxide Synthase Inhibition by Thiophene-2-carboximidamides.

Li H, Evenson RJ, Chreifi G, Silverman RB, Poulos TL.

Biochemistry. 2018 Nov 6;57(44):6319-6325. doi: 10.1021/acs.biochem.8b00895. Epub 2018 Oct 24.

9.

Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1.

Lewis-Ballester A, Karkashon S, Batabyal D, Poulos TL, Yeh SR.

J Am Chem Soc. 2018 Jul 11;140(27):8518-8525. doi: 10.1021/jacs.8b03691. Epub 2018 Jun 27.

10.

Testing the N-Terminal Velcro Model of CooA Carbon Monoxide Activation.

Tripathi S, Poulos TL.

Biochemistry. 2018 May 29;57(21):3059-3064. doi: 10.1021/acs.biochem.8b00359. Epub 2018 May 11.

PMID:
29708736
11.

Effect of redox partner binding on CYP101D1 conformational dynamics.

Batabyal D, Poulos TL.

J Inorg Biochem. 2018 Jun;183:179-183. doi: 10.1016/j.jinorgbio.2018.02.013. Epub 2018 Mar 1.

12.

Structural insights into substrate and inhibitor binding sites in human indoleamine 2,3-dioxygenase 1.

Lewis-Ballester A, Pham KN, Batabyal D, Karkashon S, Bonanno JB, Poulos TL, Yeh SR.

Nat Commun. 2017 Nov 22;8(1):1693. doi: 10.1038/s41467-017-01725-8.

13.

Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.

Do HT, Wang HY, Li H, Chreifi G, Poulos TL, Silverman RB.

J Med Chem. 2017 Nov 22;60(22):9360-9375. doi: 10.1021/acs.jmedchem.7b01356. Epub 2017 Nov 1. Erratum in: J Med Chem. 2019 Jan 24;62(2):1074.

14.

Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria.

Guo Z, Sevrioukova IF, Denisov IG, Zhang X, Chiu TL, Thomas DG, Hanse EA, Cuellar RAD, Grinkova YV, Langenfeld VW, Swedien DS, Stamschror JD, Alvarez J, Luna F, Galván A, Bae YK, Wulfkuhle JD, Gallagher RI, Petricoin EF Rd, Norris B, Flory CM, Schumacher RJ, O'Sullivan MG, Cao Q, Chu H, Lipscomb JD, Atkins WM, Gupta K, Kelekar A, Blair IA, Capdevila JH, Falck JR, Sligar SG, Poulos TL, Georg GI, Ambrose E, Potter DA.

Cell Chem Biol. 2017 Oct 19;24(10):1314. doi: 10.1016/j.chembiol.2017.09.012. No abstract available.

15.

Ultrafast CO Kinetics in Heme Proteins: Adiabatic Ligand Binding and Heavy Atom Tunneling.

Benabbas A, Sun Y, Poulos TL, Champion PM.

J Am Chem Soc. 2017 Nov 8;139(44):15738-15747. doi: 10.1021/jacs.7b07507. Epub 2017 Oct 24.

16.

Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria.

Guo Z, Sevrioukova IF, Denisov IG, Zhang X, Chiu TL, Thomas DG, Hanse EA, Cuellar RAD, Grinkova YV, Langenfeld VW, Swedien DS, Stamschror JD, Alvarez J, Luna F, Galván A, Bae YK, Wulfkuhle JD, Gallagher RI, Petricoin EF Rd, Norris B, Flory CM, Schumacher RJ, O'Sullivan MG, Cao Q, Chu H, Lipscomb JD, Atkins WM, Gupta K, Kelekar A, Blair IA, Capdevila JH, Falck JR, Sligar SG, Poulos TL, Georg GI, Ambrose E, Potter DA.

Cell Chem Biol. 2017 Oct 19;24(10):1259-1275.e6. doi: 10.1016/j.chembiol.2017.08.009. Epub 2017 Sep 14. Erratum in: Cell Chem Biol. 2017 Oct 19;24(10):1314.

17.

Insights into the Dynamics and Dissociation Mechanism of a Protein Redox Complex Using Molecular Dynamics.

Hollingsworth SA, Nguyen BD, Chreifi G, Arce AP, Poulos TL.

J Chem Inf Model. 2017 Sep 25;57(9):2344-2350. doi: 10.1021/acs.jcim.7b00421. Epub 2017 Sep 12.

18.

Effect of Redox Partner Binding on Cytochrome P450 Conformational Dynamics.

Batabyal D, Richards LS, Poulos TL.

J Am Chem Soc. 2017 Sep 20;139(37):13193-13199. doi: 10.1021/jacs.7b07656. Epub 2017 Sep 7.

19.

Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.

Pensa AV, Cinelli MA, Li H, Chreifi G, Mukherjee P, Roman LJ, Martásek P, Poulos TL, Silverman RB.

J Med Chem. 2017 Aug 24;60(16):7146-7165. doi: 10.1021/acs.jmedchem.7b00835. Epub 2017 Aug 4.

20.

Dissecting binding of a β-barrel membrane protein by phage display.

Meneghini LM, Tripathi S, Woodworth MA, Majumdar S, Poulos TL, Weiss GA.

Mol Biosyst. 2017 Jul 25;13(8):1438-1447. doi: 10.1039/c7mb00163k.

21.

Crystal structure and functional analysis of Leishmania major pseudoperoxidase.

Chreifi G, Dejam D, Poulos TL.

J Biol Inorg Chem. 2017 Aug;22(6):919-927. doi: 10.1007/s00775-017-1469-9. Epub 2017 Jun 5.

22.

Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.

Cinelli MA, Li H, Chreifi G, Poulos TL, Silverman RB.

J Med Chem. 2017 May 11;60(9):3958-3978. doi: 10.1021/acs.jmedchem.7b00259. Epub 2017 Apr 19. Erratum in: J Med Chem. 2019 Jan 24;62(2):1075.

23.

Structural basis for regiospecific midazolam oxidation by human cytochrome P450 3A4.

Sevrioukova IF, Poulos TL.

Proc Natl Acad Sci U S A. 2017 Jan 17;114(3):486-491. doi: 10.1073/pnas.1616198114. Epub 2016 Dec 28.

24.

Nitric oxide synthase and structure-based inhibitor design.

Poulos TL, Li H.

Nitric Oxide. 2017 Feb 28;63:68-77. doi: 10.1016/j.niox.2016.11.004. Epub 2016 Nov 23. Review.

25.

A Comparative Analysis of the Effector Role of Redox Partner Binding in Bacterial P450s.

Batabyal D, Lewis-Ballester A, Yeh SR, Poulos TL.

Biochemistry. 2016 Nov 29;55(47):6517-6523. Epub 2016 Nov 15.

26.

Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.

Holden JK, Lewis MC, Cinelli MA, Abdullatif Z, Pensa AV, Silverman RB, Poulos TL.

Biochemistry. 2016 Oct 4;55(39):5587-5594. Epub 2016 Sep 21.

27.

Conformational selectivity in cytochrome P450 redox partner interactions.

Hollingsworth SA, Batabyal D, Nguyen BD, Poulos TL.

Proc Natl Acad Sci U S A. 2016 Aug 2;113(31):8723-8. doi: 10.1073/pnas.1606474113. Epub 2016 Jul 20.

28.

Electrostatic Control of Isoform Selective Inhibitor Binding in Nitric Oxide Synthase.

Li H, Wang HY, Kang S, Silverman RB, Poulos TL.

Biochemistry. 2016 Jul 5;55(26):3702-7. doi: 10.1021/acs.biochem.6b00261. Epub 2016 Jun 16.

29.

Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker.

Wang HY, Qin Y, Li H, Roman LJ, Martásek P, Poulos TL, Silverman RB.

J Med Chem. 2016 May 26;59(10):4913-25. doi: 10.1021/acs.jmedchem.6b00273. Epub 2016 Apr 20.

30.

Correction to Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.

Cinelli MA, Li H, Pensa AV, Kang S, Roman LJ, Martásek P, Poulos TL, Silverman RB.

J Med Chem. 2016 Feb 11;59(3):1246. doi: 10.1021/acs.jmedchem.6b00036. Epub 2016 Jan 25. No abstract available.

31.

Crystal structure of the pristine peroxidase ferryl center and its relevance to proton-coupled electron transfer.

Chreifi G, Baxter EL, Doukov T, Cohen AE, McPhillips SE, Song J, Meharenna YT, Soltis SM, Poulos TL.

Proc Natl Acad Sci U S A. 2016 Feb 2;113(5):1226-31. doi: 10.1073/pnas.1521664113. Epub 2016 Jan 19. Erratum in: Proc Natl Acad Sci U S A. 2016 Mar 15;113(11):E1586.

32.

"Bind and Crawl" Association Mechanism of Leishmania major Peroxidase and Cytochrome c Revealed by Brownian and Molecular Dynamics Simulations.

Fields JB, Hollingsworth SA, Chreifi G, Heyden M, Arce AP, Magaña-Garcia HI, Poulos TL, Tobias DJ.

Biochemistry. 2015 Dec 15;54(49):7272-82. doi: 10.1021/acs.biochem.5b00569. Epub 2015 Dec 3.

PMID:
26598276
33.

Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.

Cinelli MA, Li H, Pensa AV, Kang S, Roman LJ, Martásek P, Poulos TL, Silverman RB.

J Med Chem. 2015 Nov 12;58(21):8694-712. doi: 10.1021/acs.jmedchem.5b01330. Epub 2015 Oct 27. Erratum in: J Med Chem. 2016 Feb 11;59(3):1246.

34.

Elucidating nitric oxide synthase domain interactions by molecular dynamics.

Hollingsworth SA, Holden JK, Li H, Poulos TL.

Protein Sci. 2016 Feb;25(2):374-82. doi: 10.1002/pro.2824. Epub 2015 Oct 22.

35.

Structure-Based Inhibitor Design for Evaluation of a CYP3A4 Pharmacophore Model.

Kaur P, Chamberlin AR, Poulos TL, Sevrioukova IF.

J Med Chem. 2016 May 12;59(9):4210-20. doi: 10.1021/acs.jmedchem.5b01146. Epub 2015 Sep 24.

36.

2-Aminopyridines with a Truncated Side Chain To Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.

Kang S, Li H, Tang W, Martásek P, Roman LJ, Poulos TL, Silverman RB.

J Med Chem. 2015 Jul 23;58(14):5548-60. doi: 10.1021/acs.jmedchem.5b00573. Epub 2015 Jul 10.

37.

Nitric Oxide Synthase as a Target for Methicillin-Resistant Staphylococcus aureus.

Holden JK, Kang S, Beasley FC, Cinelli MA, Li H, Roy SG, Dejam D, Edinger AL, Nizet V, Silverman RB, Poulos TL.

Chem Biol. 2015 Jun 18;22(6):785-92. doi: 10.1016/j.chembiol.2015.05.013.

38.

Anion-Dependent Stimulation of CYP3A4 Monooxygenase.

Sevrioukova IF, Poulos TL.

Biochemistry. 2015 Jul 7;54(26):4083-96. doi: 10.1021/acs.biochem.5b00510. Epub 2015 Jun 23.

PMID:
26066995
39.

Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.

Holden JK, Dejam D, Lewis MC, Huang H, Kang S, Jing Q, Xue F, Silverman RB, Poulos TL.

Biochemistry. 2015 Jul 7;54(26):4075-82. doi: 10.1021/acs.biochem.5b00431. Epub 2015 Jun 23.

40.

Probing the Hydrogen Bonding of the Ferrous-NO Heme Center of nNOS by Pulsed Electron Paramagnetic Resonance.

Astashkin AV, Chen L, Elmore BO, Kunwar D, Miao Y, Li H, Poulos TL, Roman LJ, Feng C.

J Phys Chem A. 2015 Jun 25;119(25):6641-9. doi: 10.1021/acs.jpca.5b01804. Epub 2015 Jun 12.

41.

Current Approaches for Investigating and Predicting Cytochrome P450 3A4-Ligand Interactions.

Sevrioukova IF, Poulos TL.

Adv Exp Med Biol. 2015;851:83-105. doi: 10.1007/978-3-319-16009-2_3. Review.

42.

Enzymatic Mechanism of Leishmania major Peroxidase and the Critical Role of Specific Ionic Interactions.

Chreifi G, Hollingsworth SA, Li H, Tripathi S, Arce AP, Magaña-Garcia HI, Poulos TL.

Biochemistry. 2015 Jun 2;54(21):3328-36. doi: 10.1021/acs.biochem.5b00338. Epub 2015 May 19.

43.

Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(methylthio)acetimidamido)pentanoic Acid.

Tang W, Li H, Doud EH, Chen Y, Choing S, Plaza C, Kelleher NL, Poulos TL, Silverman RB.

J Am Chem Soc. 2015 May 13;137(18):5980-9. doi: 10.1021/jacs.5b01202. Epub 2015 May 5.

44.

Mechanistic studies of inactivation of inducible nitric oxide synthase by amidines.

Tang W, Li H, Poulos TL, Silverman RB.

Biochemistry. 2015 Apr 21;54(15):2530-8. doi: 10.1021/acs.biochem.5b00135. Epub 2015 Apr 7.

45.

Spectroscopic and mutagenesis studies of human PGRMC1.

Kaluka D, Batabyal D, Chiang BY, Poulos TL, Yeh SR.

Biochemistry. 2015 Mar 3;54(8):1638-47. doi: 10.1021/bi501177e. Epub 2015 Feb 23.

46.

Structure-based design of bacterial nitric oxide synthase inhibitors.

Holden JK, Kang S, Hollingsworth SA, Li H, Lim N, Chen S, Huang H, Xue F, Tang W, Silverman RB, Poulos TL.

J Med Chem. 2015 Jan 22;58(2):994-1004. doi: 10.1021/jm501723p. Epub 2015 Jan 6.

47.

Novel 2,4-disubstituted pyrimidines as potent, selective, and cell-permeable inhibitors of neuronal nitric oxide synthase.

Mukherjee P, Li H, Sevrioukova I, Chreifi G, Martásek P, Roman LJ, Poulos TL, Silverman RB.

J Med Chem. 2015 Feb 12;58(3):1067-88. doi: 10.1021/jm501719e. Epub 2014 Dec 29.

48.

Molecular dynamics of the P450cam-Pdx complex reveals complex stability and novel interface contacts.

Hollingsworth SA, Poulos TL.

Protein Sci. 2015 Jan;24(1):49-57. doi: 10.1002/pro.2583. Epub 2014 Nov 13.

49.

Structures of human constitutive nitric oxide synthases.

Li H, Jamal J, Plaza C, Pineda SH, Chreifi G, Jing Q, Cinelli MA, Silverman RB, Poulos TL.

Acta Crystallogr D Biol Crystallogr. 2014 Oct;70(Pt 10):2667-74. doi: 10.1107/S1399004714017064. Epub 2014 Sep 27.

50.

Identification of redox partners and development of a novel chimeric bacterial nitric oxide synthase for structure activity analyses.

Holden JK, Lim N, Poulos TL.

J Biol Chem. 2014 Oct 17;289(42):29437-45. doi: 10.1074/jbc.M114.595165. Epub 2014 Sep 6.

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