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Items: 28


Constitutive expression of the cryptic vanGCd operon promotes vancomycin resistance in Clostridioides difficile clinical isolates.

Shen WJ, Deshpande A, Hevener KE, Endres BT, Garey KW, Palmer KL, Hurdle JG.

J Antimicrob Chemother. 2020 Apr 1;75(4):859-867. doi: 10.1093/jac/dkz513.


Second-Generation Antidiabetic Sulfonylureas Inhibit Candida albicans and Candidalysin-Mediated Activation of the NLRP3 Inflammasome.

Lowes DJ, Hevener KE, Peters BM.

Antimicrob Agents Chemother. 2020 Jan 27;64(2). pii: e01777-19. doi: 10.1128/AAC.01777-19. Print 2020 Jan 27.


Identification of Small Molecules Exhibiting Oxacillin Synergy through a Novel Assay for Inhibition of vraTSR Expression in Methicillin-Resistant Staphylococcus aureus.

Lee H, Boyle-Vavra S, Ren J, Jarusiewicz JA, Sharma LK, Hoagland DT, Yin S, Zhu T, Hevener KE, Ojeda I, Lee RE, Daum RS, Johnson ME.

Antimicrob Agents Chemother. 2019 Aug 23;63(9). pii: e02593-18. doi: 10.1128/AAC.02593-18. Print 2019 Sep.


Crystal structure of the 65-kilodalton amino-terminal fragment of DNA topoisomerase I from the gram-positive model organism Streptococcus mutans.

Jones JA, Hevener KE.

Biochem Biophys Res Commun. 2019 Aug 20;516(2):333-338. doi: 10.1016/j.bbrc.2019.06.034. Epub 2019 Jun 14.


Small-Molecule Inhibition of the C. difficile FAS-II Enzyme, FabK, Results in Selective Activity.

Jones JA, Prior AM, Marreddy RKR, Wahrmund RD, Hurdle JG, Sun D, Hevener KE.

ACS Chem Biol. 2019 Jul 19;14(7):1528-1535. doi: 10.1021/acschembio.9b00293. Epub 2019 Jun 26.


The Vacuolar Ca2+ ATPase Pump Pmc1p Is Required for Candida albicans Pathogenesis.

Luna-Tapia A, DeJarnette C, Sansevere E, Reitler P, Butts A, Hevener KE, Palmer GE.

mSphere. 2019 Feb 6;4(1). pii: e00715-18. doi: 10.1128/mSphere.00715-18.


Pharmacophore Modeling, Synthesis, and Antibacterial Evaluation of Chalcones and Derivatives.

Zhang M, Prior AM, Maddox MM, Shen WJ, Hevener KE, Bruhn DF, Lee RB, Singh AP, Reinicke J, Simmons CJ, Hurdle JG, Lee RE, Sun D.

ACS Omega. 2018 Dec 31;3(12):18343-18360. doi: 10.1021/acsomega.8b03174. Epub 2018 Dec 26.


The Fatty Acid Synthesis Protein Enoyl-ACP Reductase II (FabK) is a Target for Narrow-Spectrum Antibacterials for Clostridium difficile Infection.

Marreddy RKR, Wu X, Sapkota M, Prior AM, Jones JA, Sun D, Hevener KE, Hurdle JG.

ACS Infect Dis. 2019 Feb 8;5(2):208-217. doi: 10.1021/acsinfecdis.8b00205. Epub 2018 Dec 13.


Hit-to-Lead: Hit Validation and Assessment.

Hevener KE, Pesavento R, Ren J, Lee H, Ratia K, Johnson ME.

Methods Enzymol. 2018;610:265-309. doi: 10.1016/bs.mie.2018.09.022. Epub 2018 Oct 25.


Computational Toxicology Methods in Chemical Library Design and High-Throughput Screening Hit Validation.

Hevener KE.

Methods Mol Biol. 2018;1800:275-285. doi: 10.1007/978-1-4939-7899-1_13. Review.


Structural characterization of Porphyromonas gingivalis enoyl-ACP reductase II (FabK).

Hevener KE, Santarsiero BD, Lee H, Jones JA, Boci T, Johnson ME, Mehboob S.

Acta Crystallogr F Struct Biol Commun. 2018 Feb 1;74(Pt 2):105-112. doi: 10.1107/S2053230X18000262. Epub 2018 Jan 26.


Recent Advances in the Rational Design and Optimization of Antibacterial Agents.

Jones JA, Virga KG, Gumina G, Hevener KE.

Medchemcomm. 2016 Sep 1;7(9):1694-1715. Epub 2016 Jul 7.


Rifamycin Resistance in Clostridium difficile Is Generally Associated with a Low Fitness Burden.

Dang UT, Zamora I, Hevener KE, Adhikari S, Wu X, Hurdle JG.

Antimicrob Agents Chemother. 2016 Aug 22;60(9):5604-7. doi: 10.1128/AAC.01137-16. Print 2016 Sep.


A simplified protocol for high-yield expression and purification of bacterial topoisomerase I.

Jones JA, Price E, Miller D, Hevener KE.

Protein Expr Purif. 2016 Aug;124:32-40. doi: 10.1016/j.pep.2016.04.010. Epub 2016 Apr 23.


Comparison of radii sets, entropy, QM methods, and sampling on MM-PBSA, MM-GBSA, and QM/MM-GBSA ligand binding energies of F. tularensis enoyl-ACP reductase (FabI).

Su PC, Tsai CC, Mehboob S, Hevener KE, Johnson ME.

J Comput Chem. 2015 Sep 30;36(25):1859-73. doi: 10.1002/jcc.24011. Epub 2015 Jul 27.


Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).

Mehboob S, Song J, Hevener KE, Su PC, Boci T, Brubaker L, Truong L, Mistry T, Deng J, Cook JL, Santarsiero BD, Ghosh AK, Johnson ME.

Bioorg Med Chem Lett. 2015 Mar 15;25(6):1292-6. doi: 10.1016/j.bmcl.2015.01.048. Epub 2015 Jan 29.


High-throughput screening (HTS) and hit validation to identify small molecule inhibitors with activity against NS3/4A proteases from multiple hepatitis C virus genotypes.

Lee H, Zhu T, Patel K, Zhang YY, Truong L, Hevener KE, Gatuz JL, Subramanya G, Jeong HY, Uprichard SL, Johnson ME.

PLoS One. 2013 Oct 9;8(10):e75144. doi: 10.1371/journal.pone.0075144. eCollection 2013.


Synergistic inhibitor binding to the papain-like protease of human SARS coronavirus: mechanistic and inhibitor design implications.

Lee H, Cao S, Hevener KE, Truong L, Gatuz JL, Patel K, Ghosh AK, Johnson ME.

ChemMedChem. 2013 Aug;8(8):1361-72. doi: 10.1002/cmdc.201300134. Epub 2013 Jun 20.


Hit identification and optimization in virtual screening: practical recommendations based on a critical literature analysis.

Zhu T, Cao S, Su PC, Patel R, Shah D, Chokshi HB, Szukala R, Johnson ME, Hevener KE.

J Med Chem. 2013 Sep 12;56(17):6560-72. doi: 10.1021/jm301916b. Epub 2013 Jun 7. Review.


Fragment-based drug discovery using a multidomain, parallel MD-MM/PBSA screening protocol.

Zhu T, Lee H, Lei H, Jones C, Patel K, Johnson ME, Hevener KE.

J Chem Inf Model. 2013 Mar 25;53(3):560-72. doi: 10.1021/ci300502h. Epub 2013 Mar 14.


High-level expression, purification, and characterization of Staphylococcus aureus dihydroorotase (PyrC) as a cleavable His-SUMO fusion.

Truong L, Hevener KE, Rice AJ, Patel K, Johnson ME, Lee H.

Protein Expr Purif. 2013 Mar;88(1):98-106. doi: 10.1016/j.pep.2012.11.018. Epub 2012 Dec 13.


Expression, purification and characterization of enoyl-ACP reductase II, FabK, from Porphyromonas gingivalis.

Hevener KE, Mehboob S, Boci T, Truong K, Santarsiero BD, Johnson ME.

Protein Expr Purif. 2012 Sep;85(1):100-8. doi: 10.1016/j.pep.2012.07.003. Epub 2012 Jul 20.


Structural and enzymatic analyses reveal the binding mode of a novel series of Francisella tularensis enoyl reductase (FabI) inhibitors.

Mehboob S, Hevener KE, Truong K, Boci T, Santarsiero BD, Johnson ME.

J Med Chem. 2012 Jun 28;55(12):5933-41. doi: 10.1021/jm300489v. Epub 2012 Jun 8.


Discovery of a novel and potent class of F. tularensis enoyl-reductase (FabI) inhibitors by molecular shape and electrostatic matching.

Hevener KE, Mehboob S, Su PC, Truong K, Boci T, Deng J, Ghassemi M, Cook JL, Johnson ME.

J Med Chem. 2012 Jan 12;55(1):268-79. doi: 10.1021/jm201168g. Epub 2011 Dec 5.


Structural studies of pterin-based inhibitors of dihydropteroate synthase.

Hevener KE, Yun MK, Qi J, Kerr ID, Babaoglu K, Hurdle JG, Balakrishna K, White SW, Lee RE.

J Med Chem. 2010 Jan 14;53(1):166-77. doi: 10.1021/jm900861d.


A statistical framework to evaluate virtual screening.

Zhao W, Hevener KE, White SW, Lee RE, Boyett JM.

BMC Bioinformatics. 2009 Jul 20;10:225. doi: 10.1186/1471-2105-10-225.


Validation of molecular docking programs for virtual screening against dihydropteroate synthase.

Hevener KE, Zhao W, Ball DM, Babaoglu K, Qi J, White SW, Lee RE.

J Chem Inf Model. 2009 Feb;49(2):444-60. doi: 10.1021/ci800293n.


Quantitative structure-activity relationship studies on nitrofuranyl anti-tubercular agents.

Hevener KE, Ball DM, Buolamwini JK, Lee RE.

Bioorg Med Chem. 2008 Sep 1;16(17):8042-53. doi: 10.1016/j.bmc.2008.07.070. Epub 2008 Jul 29.

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