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Items: 1 to 50 of 154

1.

Erratum for DeMarco et al., "Determination of [11C]Rifampin Pharmacokinetics within Mycobacterium tuberculosis-Infected Mice by Using Dynamic Positron Emission Tomography Bioimaging".

DeMarco VP, Ordonez AA, Klunk M, Prideaux B, Wang H, Zhang Z, Tonge PJ, Dannals RF, Holt DP, Lee CKK, Weinstein EA, Dartois V, Dooley KE, Jain SK.

Antimicrob Agents Chemother. 2019 Aug 23;63(9). pii: e01368-19. doi: 10.1128/AAC.01368-19. Print 2019 Sep. No abstract available.

2.

Vibrational spectroscopy of flavoproteins.

Iuliano JN, French JB, Tonge PJ.

Methods Enzymol. 2019;620:189-214. doi: 10.1016/bs.mie.2019.03.011. Epub 2019 Apr 10.

PMID:
31072487
3.

Pharmacokinetic-pharmacodynamic models that incorporate drug-target binding kinetics.

Daryaee F, Tonge PJ.

Curr Opin Chem Biol. 2019 Jun;50:120-127. doi: 10.1016/j.cbpa.2019.03.008. Epub 2019 Apr 28. Review.

PMID:
31030171
4.

Antibacterial Activity and Mode of Action of a Sulfonamide-Based Class of Oxaborole Leucyl-tRNA-Synthetase Inhibitors.

Si Y, Basak S, Li Y, Merino J, Iuliano JN, Walker SG, Tonge PJ.

ACS Infect Dis. 2019 Jul 12;5(7):1231-1238. doi: 10.1021/acsinfecdis.9b00071. Epub 2019 May 1.

PMID:
31007018
5.

Structure-Based Design, Synthesis, and Biological Evaluation of Non-Acyl Sulfamate Inhibitors of the Adenylate-Forming Enzyme MenE.

Evans CE, Si Y, Matarlo JS, Yin Y, French JB, Tonge PJ, Tan DS.

Biochemistry. 2019 Apr 9;58(14):1918-1930. doi: 10.1021/acs.biochem.9b00003. Epub 2019 Mar 26.

6.

Quantifying the Interactions between Biomolecules: Guidelines for Assay Design and Data Analysis.

Tonge PJ.

ACS Infect Dis. 2019 Jun 14;5(6):796-808. doi: 10.1021/acsinfecdis.9b00012. Epub 2019 Apr 13.

7.

Discovery of a cofactor-independent inhibitor of Mycobacterium tuberculosis InhA.

Xia Y, Zhou Y, Carter DS, McNeil MB, Choi W, Halladay J, Berry PW, Mao W, Hernandez V, O'Malley T, Korkegian A, Sunde B, Flint L, Woolhiser LK, Scherman MS, Gruppo V, Hastings C, Robertson GT, Ioerger TR, Sacchettini J, Tonge PJ, Lenaerts AJ, Parish T, Alley M.

Life Sci Alliance. 2018 Jun 1;1(3):e201800025. doi: 10.26508/lsa.201800025. eCollection 2018 Jun.

8.

Positron Emission Tomography Imaging with 2-[18F]F- p-Aminobenzoic Acid Detects Staphylococcus aureus Infections and Monitors Drug Response.

Zhang Z, Ordonez AA, Wang H, Li Y, Gogarty KR, Weinstein EA, Daryaee F, Merino J, Yoon GE, Kalinda AS, Mease RC, Iuliano JN, Smith-Jones PM, Jain SK, Tonge PJ.

ACS Infect Dis. 2018 Nov 9;4(11):1635-1644. doi: 10.1021/acsinfecdis.8b00182. Epub 2018 Aug 17.

9.

Editorial overview: Next generation therapeutics.

Whitty A, Tonge PJ.

Curr Opin Chem Biol. 2018 Jun;44:A1-A4. doi: 10.1016/j.cbpa.2018.06.013. Epub 2018 Jul 17. No abstract available.

10.

Structure-kinetic relationships that control the residence time of drug-target complexes: insights from molecular structure and dynamics.

Lu H, Iuliano JN, Tonge PJ.

Curr Opin Chem Biol. 2018 Jun;44:101-109. doi: 10.1016/j.cbpa.2018.06.002. Epub 2018 Jul 6. Review.

11.

Infrared spectroscopy reveals multi-step multi-timescale photoactivation in the photoconvertible protein archetype dronpa.

Laptenok SP, Gil AA, Hall CR, Lukacs A, Iuliano JN, Jones GA, Greetham GM, Donaldson P, Miyawaki A, Tonge PJ, Meech SR.

Nat Chem. 2018 Aug;10(8):845-852. doi: 10.1038/s41557-018-0073-0. Epub 2018 Jun 11.

12.

Variation in LOV Photoreceptor Activation Dynamics Probed by Time-Resolved Infrared Spectroscopy.

Iuliano JN, Gil AA, Laptenok SP, Hall CR, Tolentino Collado J, Lukacs A, Hag Ahmed SA, Abyad J, Daryaee T, Greetham GM, Sazanovich IV, Illarionov B, Bacher A, Fischer M, Towrie M, French JB, Meech SR, Tonge PJ.

Biochemistry. 2018 Feb 6;57(5):620-630. doi: 10.1021/acs.biochem.7b01040. Epub 2018 Jan 4.

13.

Photoactivation of the BLUF Protein PixD Probed by the Site-Specific Incorporation of Fluorotyrosine Residues.

Gil AA, Laptenok SP, Iuliano JN, Lukacs A, Verma A, Hall CR, Yoon GE, Brust R, Greetham GM, Towrie M, French JB, Meech SR, Tonge PJ.

J Am Chem Soc. 2017 Oct 18;139(41):14638-14648. doi: 10.1021/jacs.7b07849. Epub 2017 Oct 5.

14.

CNS Anticancer Drug Discovery and Development: 2016 conference insights.

Levin VA, Abrey LE, Heffron TP, Tonge PJ, Dar AC, Weiss WA, Gallo JM.

CNS Oncol. 2017 Jul 18. doi: 10.2217/cns-2017-0014. [Epub ahead of print]

15.

Drug-Target Kinetics in Drug Discovery.

Tonge PJ.

ACS Chem Neurosci. 2018 Jan 17;9(1):29-39. doi: 10.1021/acschemneuro.7b00185. Epub 2017 Jul 14.

16.

A quantitative mechanistic PK/PD model directly connects Btk target engagement and in vivo efficacy.

Daryaee F, Zhang Z, Gogarty KR, Li Y, Merino J, Fisher SL, Tonge PJ.

Chem Sci. 2017 May 1;8(5):3434-3443. doi: 10.1039/c6sc03306g. Epub 2017 Mar 14.

17.

Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.

Neckles C, Eltschkner S, Cummings JE, Hirschbeck M, Daryaee F, Bommineni GR, Zhang Z, Spagnuolo L, Yu W, Davoodi S, Slayden RA, Kisker C, Tonge PJ.

Biochemistry. 2017 Apr 4;56(13):1865-1878. doi: 10.1021/acs.biochem.6b01048. Epub 2017 Mar 21.

18.

The biodistribution of 5-[18F]fluoropyrazinamide in Mycobacterium tuberculosis-infected mice determined by positron emission tomography.

Zhang Z, Ordonez AA, Smith-Jones P, Wang H, Gogarty KR, Daryaee F, Bambarger LE, Chang YS, Jain SK, Tonge PJ.

PLoS One. 2017 Feb 2;12(2):e0170871. doi: 10.1371/journal.pone.0170871. eCollection 2017.

19.

Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors.

Spagnuolo LA, Eltschkner S, Yu W, Daryaee F, Davoodi S, Knudson SE, Allen EK, Merino J, Pschibul A, Moree B, Thivalapill N, Truglio JJ, Salafsky J, Slayden RA, Kisker C, Tonge PJ.

J Am Chem Soc. 2017 Mar 8;139(9):3417-3429. doi: 10.1021/jacs.6b11148. Epub 2017 Feb 22.

20.

Femtosecond to Millisecond Dynamics of Light Induced Allostery in the Avena sativa LOV Domain.

Gil AA, Laptenok SP, French JB, Iuliano JN, Lukacs A, Hall CR, Sazanovich IV, Greetham GM, Bacher A, Illarionov B, Fischer M, Tonge PJ, Meech SR.

J Phys Chem B. 2017 Feb 9;121(5):1010-1019. doi: 10.1021/acs.jpcb.7b00088. Epub 2017 Jan 25.

21.

Stereoselective Synthesis, Docking, and Biological Evaluation of Difluoroindanediol-Based MenE Inhibitors as Antibiotics.

Evans CE, Matarlo JS, Tonge PJ, Tan DS.

Org Lett. 2016 Dec 16;18(24):6384-6387. Epub 2016 Dec 1.

22.

Formulation studies of InhA inhibitors and combination therapy to improve efficacy against Mycobacterium tuberculosis.

Knudson SE, Cummings JE, Bommineni GR, Pan P, Tonge PJ, Slayden RA.

Tuberculosis (Edinb). 2016 Dec;101:8-14. doi: 10.1016/j.tube.2016.07.016. Epub 2016 Aug 3.

23.

Antitubercular activity of 1,2,3-triazolyl fatty acid derivatives.

Ghiano DG, de la Iglesia A, Liu N, Tonge PJ, Morbidoni HR, Labadie GR.

Eur J Med Chem. 2017 Jan 5;125:842-852. doi: 10.1016/j.ejmech.2016.09.086. Epub 2016 Sep 28.

24.

Correlating Drug-Target Kinetics and In vivo Pharmacodynamics: Long Residence Time Inhibitors of the FabI Enoyl-ACP Reductase.

Daryaee F, Chang A, Schiebel J, Lu Y, Zhang Z, Kapilashrami K, Walker SG, Kisker C, Sotriffer CA, Fisher SL, Tonge PJ.

Chem Sci. 2016 Sep 1;7(9):5945-5954. Epub 2016 May 25.

25.

A Methyl 4-Oxo-4-phenylbut-2-enoate with in Vivo Activity against MRSA that Inhibits MenB in the Bacterial Menaquinone Biosynthesis Pathway.

Matarlo JS, Lu Y, Daryaee F, Daryaee T, Ruzsicska B, Walker SG, Tonge PJ.

ACS Infect Dis. 2016 May 13;2(5):329-340. Epub 2016 Mar 7.

26.

Thiolactomycin-Based Inhibitors of Bacterial β-Ketoacyl-ACP Synthases with in Vivo Activity.

Bommineni GR, Kapilashrami K, Cummings JE, Lu Y, Knudson SE, Gu C, Walker SG, Slayden RA, Tonge PJ.

J Med Chem. 2016 Jun 9;59(11):5377-90. doi: 10.1021/acs.jmedchem.6b00236. Epub 2016 May 24.

27.

Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.

Neckles C, Pschibul A, Lai CT, Hirschbeck M, Kuper J, Davoodi S, Zou J, Liu N, Pan P, Shah S, Daryaee F, Bommineni GR, Lai C, Simmerling C, Kisker C, Tonge PJ.

Biochemistry. 2016 May 31;55(21):2992-3006. doi: 10.1021/acs.biochem.5b01301. Epub 2016 May 17.

28.

Mechanism of the AppABLUF Photocycle Probed by Site-Specific Incorporation of Fluorotyrosine Residues: Effect of the Y21 pKa on the Forward and Reverse Ground-State Reactions.

Gil A, Haigney A, Laptenok SP, Brust R, Lukacs A, Iuliano J, Jeng J, Melief E, Zhao RK, Yoon E, Clark I, Towrie M, Greetham GM, Ng A, Truglio J, French J, Meech SR, Tonge PJ.

J Am Chem Soc. 2016 Jan 27;138(3):926-935. doi: 10.1021/jacs.5b11115. Epub 2016 Jan 15.

29.

Asparagine deprivation mediated by Salmonella asparaginase causes suppression of activation-induced T cell metabolic reprogramming.

Torres A, Luke JD, Kullas AL, Kapilashrami K, Botbol Y, Koller A, Tonge PJ, Chen EI, Macian F, van der Velden AW.

J Leukoc Biol. 2016 Feb;99(2):387-98. doi: 10.1189/jlb.4A0615-252R. Epub 2015 Oct 23.

30.

CNS Anticancer Drug Discovery and Development Conference White Paper.

Levin VA, Tonge PJ, Gallo JM, Birtwistle MR, Dar AC, Iavarone A, Paddison PJ, Heffron TP, Elmquist WF, Lachowicz JE, Johnson TW, White FM, Sul J, Smith QR, Shen W, Sarkaria JN, Samala R, Wen PY, Berry DA, Petter RC.

Neuro Oncol. 2015 Nov;17 Suppl 6:vi1-26. doi: 10.1093/neuonc/nov169.

31.

Mechanism of MenE inhibition by acyl-adenylate analogues and discovery of novel antibacterial agents.

Matarlo JS, Evans CE, Sharma I, Lavaud LJ, Ngo SC, Shek R, Rajashankar KR, French JB, Tan DS, Tonge PJ.

Biochemistry. 2015 Oct 27;54(42):6514-6524. doi: 10.1021/acs.biochem.5b00966. Epub 2015 Oct 15.

32.

Computer-aided identification, synthesis, and biological evaluation of novel inhibitors for botulinum neurotoxin serotype A.

Teng YH, Berger WT, Nesbitt NM, Kumar K, Balius TE, Rizzo RC, Tonge PJ, Ojima I, Swaminathan S.

Bioorg Med Chem. 2015 Sep 1;23(17):5489-95. doi: 10.1016/j.bmc.2015.07.040. Epub 2015 Jul 27.

PMID:
26275678
33.

Diacyltransferase Activity and Chain Length Specificity of Mycobacterium tuberculosis PapA5 in the Synthesis of Alkyl β-Diol Lipids.

Touchette MH, Bommineni GR, Delle Bovi RJ, Gadbery JE, Nicora CD, Shukla AK, Kyle JE, Metz TO, Martin DW, Sampson NS, Miller WT, Tonge PJ, Seeliger JC.

Biochemistry. 2015 Sep 8;54(35):5457-68. doi: 10.1021/acs.biochem.5b00455. Epub 2015 Aug 24.

34.

Radiolabelling and positron emission tomography of PT70, a time-dependent inhibitor of InhA, the Mycobacterium tuberculosis enoyl-ACP reductase.

Wang H, Liu L, Lu Y, Pan P, Hooker JM, Fowler JS, Tonge PJ.

Bioorg Med Chem Lett. 2015 Nov 1;25(21):4782-4786. doi: 10.1016/j.bmcl.2015.07.019. Epub 2015 Jul 14.

35.

Determination of [11C]rifampin pharmacokinetics within Mycobacterium tuberculosis-infected mice by using dynamic positron emission tomography bioimaging.

DeMarco VP, Ordonez AA, Klunk M, Prideaux B, Wang H, Zhuo Z, Tonge PJ, Dannals RF, Holt DP, Lee CK, Weinstein EA, Dartois V, Dooley KE, Jain SK.

Antimicrob Agents Chemother. 2015 Sep;59(9):5768-74. doi: 10.1128/AAC.01146-15. Epub 2015 Jul 13. Erratum in: Antimicrob Agents Chemother. 2019 Aug 23;63(9):.

36.

Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.

Lai CT, Li HJ, Yu W, Shah S, Bommineni GR, Perrone V, Garcia-Diaz M, Tonge PJ, Simmerling C.

Biochemistry. 2015 Aug 4;54(30):4683-91. doi: 10.1021/acs.biochem.5b00284. Epub 2015 Jul 24.

37.

Complete Proton Transfer Cycle in GFP and Its T203V and S205V Mutants.

Laptenok SP, Lukacs A, Gil A, Brust R, Sazanovich IV, Greetham GM, Tonge PJ, Meech SR.

Angew Chem Int Ed Engl. 2015 Aug 3;54(32):9303-7. doi: 10.1002/anie.201503672. Epub 2015 Jun 18.

38.

Translating slow-binding inhibition kinetics into cellular and in vivo effects.

Walkup GK, You Z, Ross PL, Allen EK, Daryaee F, Hale MR, O'Donnell J, Ehmann DE, Schuck VJ, Buurman ET, Choy AL, Hajec L, Murphy-Benenato K, Marone V, Patey SA, Grosser LA, Johnstone M, Walker SG, Tonge PJ, Fisher SL.

Nat Chem Biol. 2015 Jun;11(6):416-23. doi: 10.1038/nchembio.1796. Epub 2015 Apr 20.

39.

An ordered water channel in Staphylococcus aureus FabI: unraveling the mechanism of substrate recognition and reduction.

Schiebel J, Chang A, Merget B, Bommineni GR, Yu W, Spagnuolo LA, Baxter MV, Tareilus M, Tonge PJ, Kisker C, Sotriffer CA.

Biochemistry. 2015 Mar 17;54(10):1943-55. doi: 10.1021/bi5014358. Epub 2015 Mar 3.

40.

A [(32)P]NAD(+)-based method to identify and quantitate long residence time enoyl-acyl carrier protein reductase inhibitors.

Yu W, Neckles C, Chang A, Bommineni GR, Spagnuolo L, Zhang Z, Liu N, Lai C, Truglio J, Tonge PJ.

Anal Biochem. 2015 Apr 1;474:40-9. doi: 10.1016/j.ab.2014.12.022. Epub 2015 Feb 14.

41.

A virtual screen discovers novel, fragment-sized inhibitors of Mycobacterium tuberculosis InhA.

Perryman AL, Yu W, Wang X, Ekins S, Forli S, Li SG, Freundlich JS, Tonge PJ, Olson AJ.

J Chem Inf Model. 2015 Mar 23;55(3):645-59. doi: 10.1021/ci500672v. Epub 2015 Feb 17.

42.

Electron transfer quenching in light adapted and mutant forms of the AppA BLUF domain.

Laptenok SP, Lukacs A, Brust R, Haigney A, Gil A, Towrie M, Greetham GM, Tonge PJ, Meech SR.

Faraday Discuss. 2015;177:293-311. doi: 10.1039/c4fd00189c.

PMID:
25633480
43.

Direct inhibitors of InhA are active against Mycobacterium tuberculosis.

Manjunatha UH, S Rao SP, Kondreddi RR, Noble CG, Camacho LR, Tan BH, Ng SH, Ng PS, Ma NL, Lakshminarayana SB, Herve M, Barnes SW, Yu W, Kuhen K, Blasco F, Beer D, Walker JR, Tonge PJ, Glynne R, Smith PW, Diagana TT.

Sci Transl Med. 2015 Jan 7;7(269):269ra3. doi: 10.1126/scitranslmed.3010597.

44.

Radiosynthesis and biological evaluation of a novel enoyl-ACP reductase inhibitor for Staphylococcus aureus.

Wang H, Lu Y, Liu L, Kim SW, Hooker JM, Fowler JS, Tonge PJ.

Eur J Med Chem. 2014 Dec 17;88:66-73. doi: 10.1016/j.ejmech.2014.09.008. Epub 2014 Sep 6.

45.

Rational design of broad spectrum antibacterial activity based on a clinically relevant enoyl-acyl carrier protein (ACP) reductase inhibitor.

Schiebel J, Chang A, Shah S, Lu Y, Liu L, Pan P, Hirschbeck MW, Tareilus M, Eltschkner S, Yu W, Cummings JE, Knudson SE, Bommineni GR, Walker SG, Slayden RA, Sotriffer CA, Tonge PJ, Kisker C.

J Biol Chem. 2014 Jun 6;289(23):15987-6005. doi: 10.1074/jbc.M113.532804. Epub 2014 Apr 16.

46.

Ultrafast Structural Dynamics of BlsA, a Photoreceptor from the Pathogenic Bacterium Acinetobacter baumannii.

Brust R, Haigney A, Lukacs A, Gil A, Hossain S, Addison K, Lai CT, Towrie M, Greetham GM, Clark IP, Illarionov B, Bacher A, Kim RR, Fischer M, Simmerling C, Meech SR, Tonge PJ.

J Phys Chem Lett. 2014 Jan 2;5(1):220-224. Epub 2013 Dec 6.

47.

Time-dependent diaryl ether inhibitors of InhA: structure-activity relationship studies of enzyme inhibition, antibacterial activity, and in vivo efficacy.

Pan P, Knudson SE, Bommineni GR, Li HJ, Lai CT, Liu N, Garcia-Diaz M, Simmerling C, Patil SS, Slayden RA, Tonge PJ.

ChemMedChem. 2014 Apr;9(4):776-91. doi: 10.1002/cmdc.201300429. Epub 2014 Mar 11.

48.

BLUF domain function does not require a metastable radical intermediate state.

Lukacs A, Brust R, Haigney A, Laptenok SP, Addison K, Gil A, Towrie M, Greetham GM, Tonge PJ, Meech SR.

J Am Chem Soc. 2014 Mar 26;136(12):4605-15. doi: 10.1021/ja4121082. Epub 2014 Mar 13.

49.

A structural and energetic model for the slow-onset inhibition of the Mycobacterium tuberculosis enoyl-ACP reductase InhA.

Li HJ, Lai CT, Pan P, Yu W, Liu N, Bommineni GR, Garcia-Diaz M, Simmerling C, Tonge PJ.

ACS Chem Biol. 2014 Apr 18;9(4):986-93. doi: 10.1021/cb400896g. Epub 2014 Mar 10.

50.

Substituted diphenyl ethers as a novel chemotherapeutic platform against Burkholderia pseudomallei.

Cummings JE, Beaupre AJ, Knudson SE, Liu N, Yu W, Neckles C, Wang H, Khanna A, Bommineni GR, Trunck LA, Schweizer HP, Tonge PJ, Slayden RA.

Antimicrob Agents Chemother. 2014;58(3):1646-51. doi: 10.1128/AAC.02296-13. Epub 2013 Dec 30.

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