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Items: 1 to 20 of 52

1.

Rational design and synthesis of novel diphenyl ether derivatives as antitubercular agents.

Kar SS, Bhat G V, Rao PP, Shenoy VP, Bairy I, Shenoy GG.

Drug Des Devel Ther. 2016 Jul 18;10:2299-310. doi: 10.2147/DDDT.S104037. eCollection 2016.

2.

Triclosan-induced genes Rv1686c-Rv1687c and Rv3161c are not involved in triclosan resistance in Mycobacterium tuberculosis.

Gomez A, Andreu N, Ferrer-Navarro M, Yero D, Gibert I.

Sci Rep. 2016 May 19;6:26221. doi: 10.1038/srep26221.

3.

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.

PMID:
27136302
4.

Crystallization and X-ray diffraction studies of a complete bacterial fatty-acid synthase type I.

Enderle M, McCarthy A, Paithankar KS, Grininger M.

Acta Crystallogr F Struct Biol Commun. 2015 Nov;71(Pt 11):1401-7. doi: 10.1107/S2053230X15018336. Epub 2015 Oct 23.

5.

Aqueous Molecular Dynamics Simulations of the M. tuberculosis Enoyl-ACP Reductase-NADH System and Its Complex with a Substrate Mimic or Diphenyl Ethers Inhibitors.

da Silva Lima CH, de Alencastro RB, Kaiser CR, de Souza MV, Rodrigues CR, Albuquerque MG.

Int J Mol Sci. 2015 Oct 7;16(10):23695-722. doi: 10.3390/ijms161023695.

6.

Evolution of a thienopyrimidine antitubercular relying on medicinal chemistry and metabolomics insights.

Li SG, Vilch├Ęze C, Chakraborty S, Wang X, Kim H, Anisetti M, Ekins S, Rhee KY, Jacobs WR Jr, Freundlich JS.

Tetrahedron Lett. 2015 Jun 3;56(23):3246-3250.

7.

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):4782-6. doi: 10.1016/j.bmcl.2015.07.019. Epub 2015 Jul 14.

PMID:
26227776
8.

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.

9.

Slow-Onset Inhibition of Mycobacterium tuberculosis InhA: Revealing Molecular Determinants of Residence Time by MD Simulations.

Merget B, Sotriffer CA.

PLoS One. 2015 May 21;10(5):e0127009. doi: 10.1371/journal.pone.0127009. eCollection 2015.

10.

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.

11.

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.

12.

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.

13.

Celastrol inhibits Plasmodium falciparum enoyl-acyl carrier protein reductase.

Tallorin L, Durrant JD, Nguyen QG, McCammon JA, Burkart MD.

Bioorg Med Chem. 2014 Nov 1;22(21):6053-61. doi: 10.1016/j.bmc.2014.09.002. Epub 2014 Sep 15.

14.

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.

15.

Biological evaluation of potent triclosan-derived inhibitors of the enoyl-acyl carrier protein reductase InhA in drug-sensitive and drug-resistant strains of Mycobacterium tuberculosis.

Stec J, Vilch├Ęze C, Lun S, Perryman AL, Wang X, Freundlich JS, Bishai W, Jacobs WR Jr, Kozikowski AP.

ChemMedChem. 2014 Nov;9(11):2528-37. doi: 10.1002/cmdc.201402255. Epub 2014 Aug 27.

16.

5-(4-Fluoro-phen-yl)-2H-pyrazol-1-ium 2,2,2-tri-fluoro-acetate.

Yamuna TS, Jasinski JP, Kaur M, Anderson BJ, Yathirajan HS.

Acta Crystallogr Sect E Struct Rep Online. 2014 Mar 15;70(Pt 4):o429-30. doi: 10.1107/S1600536814005200. eCollection 2014 Apr 1.

17.

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.

18.

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.

19.

The Burkholderia pseudomallei enoyl-acyl carrier protein reductase FabI1 is essential for in vivo growth and is the target of a novel chemotherapeutic with efficacy.

Cummings JE, Kingry LC, Rholl DA, Schweizer HP, Tonge PJ, Slayden RA.

Antimicrob Agents Chemother. 2014;58(2):931-5. doi: 10.1128/AAC.00176-13. Epub 2013 Nov 25.

20.
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