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1

Validation of Molecular Docking Programs for Virtual Screening against Dihydropteroate Synthase

Hevener, Kirk E., Zhao, Wei, Ball, David M., Babaoglu, Kerim, Qi, Jianjun, White, Stephen W., Lee, Richard E.

Journal:

Journal of Chemical Information and Modeling

Year:

2009

Language:

english

File:

PDF, 4.13 MB

english, 2009

2

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

Hevener, Kirk E., Santarsiero, Bernard D., Lee, Hyun, Jones, Jesse A., Boci, Teuta, Johnson, Michael E., Mehboob, Shahila

Journal:

Acta Crystallographica Section F Structural Biology Communications

Year:

2018

Language:

english

File:

PDF, 834 KB

english, 2018

3

[Methods in Enzymology] || Hit-to-Lead: Hit Validation and Assessment

Hevener, Kirk E.

Year:

2018

Language:

english

File:

PDF, 1.42 MB

english, 2018

4

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

Zhang, Mingming, Prior, Allan M., Maddox, Marcus M., Shen, Wan-Jou, Hevener, Kirk E., Bruhn, David F., Lee, Robin B., Singh, Aman P., Reinicke, Justin, Simmons, Charles J., Hurdle, Julian G., Lee, Ric

Journal:

Year:

2018

Language:

english

File:

PDF, 2.68 MB

english, 2018

5

Antibacterial kaneoheoic acids A-F from a Hawaiian fungus Fusarium sp. FM701

Uz Zaman, KH Ahammad, Wu, Xiaohua, Hu, Zhenquan, Yoshida, Wesley, Hou, Shaobin, Saito, Jennifer, Avad, Kristiana Alexes, Hevener, Kirk E., Alumasa, John N., Cao, Shugeng

Journal:

Year:

2021

File:

PDF, 60 KB

2021

6

Structure–activity relationships and enzyme inhibition of pantothenamide-type pantothenate kinase inhibitors

Kristopher G. Virga, Yong-Mei Zhang, Roberta Leonardi, Robert A. Ivey, Kirk Hevener, Hee-Won Park, Suzanne Jackowski, Charles O. Rock, Richard E. Lee

Journal:

Bioorganic & Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 339 KB

english, 2006

7

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

Kirk E. Hevener, David M. Ball, John K. Buolamwini, Richard E. Lee

Journal:

Bioorganic & Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 1.03 MB

english, 2008

8

Synthesis and Evaluation of Nitrofuranylamides as Novel Antituberculosis Agents

Tangallapally, Rajendra P., Yendapally, Raghunandan, Lee, Robin E., Hevener, Kirk, Jones, Victoria C., Lenaerts, Anne J. M., McNeil, Michael R., Wang, Yuehong, Franzblau, Scott, Lee, Richard E.

Journal:

Journal of Medicinal Chemistry

Year:

2004

Language:

english

File:

PDF, 159 KB

english, 2004

9

Structural and Enzymatic Analyses Reveal the Binding Mode of a Novel Series of Francisella tularensis Enoyl Reductase (FabI) Inhibitors

Mehboob, Shahila, Hevener, Kirk E., Truong, Kent, Boci, Teuta, Santarsiero, Bernard D., Johnson, Michael E.

Journal:

Journal of Medicinal Chemistry

Year:

2012

Language:

english

File:

PDF, 4.37 MB

english, 2012

10

A statistical framework to evaluate virtual screening

Wei Zhao, Kirk E Hevener, Stephen W White, Richard E Lee, James M Boyett

Journal:

BMC Bioinformatics

Year:

2009

Language:

english

File:

PDF, 373 KB

english, 2009

11

Discovery of a Novel and Potent Class of F. tularensis Enoyl-Reductase (FabI) Inhibitors by Molecular Shape and Electrostatic Matching

Hevener, Kirk E., Mehboob, Shahila, Su, Pin-Chih, Truong, Kent, Boci, Teuta, Deng, Jiangping, Ghassemi, Mahmood, Cook, James L., Johnson, Michael E.

Journal:

Journal of Medicinal Chemistry

Year:

2012

Language:

english

File:

PDF, 2.88 MB

english, 2012

12

Fragment-Based Drug Discovery Using a Multidomain, Parallel MD-MM/PBSA Screening Protocol

Zhu, Tian, Lee, Hyun, Lei, Hao, Jones, Christopher, Patel, Kavankumar, Johnson, Michael E., Hevener, Kirk E.

Journal:

Journal of Chemical Information and Modeling

Year:

2013

Language:

english

File:

PDF, 916 KB

english, 2013

13

Hit Identification and Optimization in Virtual Screening: Practical Recommendations Based on a Critical Literature Analysis

Zhu, Tian, Cao, Shuyi, Su, Pin-Chih, Patel, Ram, Shah, Darshan, Chokshi, Heta B., Szukala, Richard, Johnson, Michael E., Hevener, Kirk E.

Journal:

Journal of Medicinal Chemistry

Year:

2013

Language:

english

File:

PDF, 910 KB

english, 2013

14

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

Truong, Lena, Hevener, Kirk E., Rice, Amy J., Patel, Kavankumar, Johnson, Michael E., Lee, Hyun

Journal:

Protein Expression and Purification

Year:

2013

Language:

english

File:

PDF, 950 KB

english, 2013

15

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

Hevener, Kirk E., Mehboob, Shahila, Boci, Teuta, Truong, Kent, Santarsiero, Bernard D., Johnson, Michael E.

Journal:

Protein Expression and Purification

Year:

2012

Language:

english

File:

PDF, 849 KB

english, 2012

16

[Annual Reports in Medicinal Chemistry] Volume 48 || Special Challenges to the Rational Design of Antibacterial Agents

Hevener, Kirk E.

Year:

2013

Language:

english

File:

PDF, 452 KB

english, 2013

17

Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase

Hevener, Kirk E., Yun, Mi-Kyung, Qi, Jianjun, Kerr, Iain D., Babaoglu, Kerim, Hurdle, Julian G., Balakrishna, Kanya, White, Stephen W., Lee, Richard E.

Journal:

Journal of Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 4.40 MB

english, 2010

18

Synergistic Inhibitor Binding to the Papain-Like Protease of Human SARS Coronavirus: Mechanistic and Inhibitor Design Implications

Lee, Hyun, Cao, Shuyi, Hevener, Kirk E., Truong, Lena, Gatuz, Joseph L., Patel, Kavankumar, Ghosh, Arun K., Johnson, Michael E.

Journal:

Year:

2013

Language:

english

File:

PDF, 1.60 MB

english, 2013

19

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

Mehboob, Shahila, Song, Jinhua, Hevener, Kirk E., Su, Pin-Chih, Boci, Teuta, Brubaker, Libby, Truong, Lena, Mistry, Tina, Deng, Jiangping, Cook, James L., Santarsiero, Bernard D., Ghosh, Arun K., John

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2015

Language:

english

File:

PDF, 1.23 MB

english, 2015

20

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, Pin-Chih, Tsai, Cheng-Chieh, Mehboob, Shahila, Hevener, Kirk E., Johnson, Michael E.

Journal:

Journal of Computational Chemistry

Year:

2015

Language:

english

File:

PDF, 1.03 MB

english, 2015

21

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

Jones, Jesse A., Price, Emily, Miller, Donovan, Hevener, Kirk E.

Journal:

Protein Expression and Purification

Year:

2016

Language:

english

File:

PDF, 1.03 MB

english, 2016

22

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

Dang, Uyen T., Zamora, Idalia, Hevener, Kirk E., Adhikari, Sudip, Wu, Xiaoqian, Hurdle, Julian G.

Journal:

Antimicrobial Agents and Chemotherapy

Year:

2016

Language:

english

File:

PDF, 1022 KB

english, 2016

23

Recent advances in the rational design and optimization of antibacterial agents

Jones, Jesse A., Virga, Kristopher G., Gumina, Giuseppe, Hevener, Kirk E.

Journal:

Year:

2016

Language:

english

File:

PDF, 2.39 MB

english, 2016

24

NIH Public Access

Hevener, Kirk E, Ball, David M, Buolamwini, John K, Lee, Richard E

Year:

2009

Language:

english

File:

PDF, 1.43 MB

english, 2009

25

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, Hyun, Zhu, Tian, Patel, Kavankumar, Zhang, Yan-Yan, Truong, Lena, Hevener, Kirk E., Gatuz, Joseph L., Subramanya, Gitanjali, Jeong, Hyun-Young, Uprichard, Susan L., Johnson, Michael E., Bartosch,

Journal:

Year:

2013

Language:

english

File:

PDF, 2.15 MB

english, 2013

26

Recent developments in topoisomerase targeted cancer chemotherapy

Hevener, KirkE., Verstak, Tatsiana A., Lutat, Katie E., Riggsbee, Daniel L., Mooney, Jeremiah W.

Journal:

Acta Pharmaceutica Sinica B

Year:

2018

Language:

english

File:

PDF, 1.72 MB

english, 2018

27

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

Marreddy, RaviKanthReddy, Wu, Xiaoqian, Madhab, Sapkota, Prior, Allan M., Jones, Jesse, Sun, Dianqing, Hevener, Kirk E., Hurdle, Julian G.

Journal:

ACS Infectious Diseases

Year:

2018

Language:

english

File:

PDF, 678 KB

english, 2018

28

The Vacuolar Ca 2+ ATPase Pump Pmc1p Is Required for Candida albicans Pathogenesis

Luna-Tapia, Arturo, DeJarnette, Christian, Sansevere, Emily, Reitler, Parker, Butts, Arielle, Hevener, Kirk E., Palmer, Glen E., Mitchell, Aaron P.

Journal:

Year:

2019

Language:

english

File:

PDF, 1.36 MB

english, 2019

29

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

Jones, Jesse A., Hevener, Kirk E.

Journal:

Biochemical and Biophysical Research Communications

Year:

2019

Language:

english

File:

PDF, 1.91 MB

english, 2019

30

Identification of small molecules exhibiting oxacillin synergy through a novel assay for inhibition of vraTSR expression in methicillin resistant Staphylococcus aureus

Lee, Hyun, Boyle-Vavra, Susan, Ren, Jinhong, Jarusiewicz, Jamie, Sharma, Lalit Kumar, Hoagland, Daniel T., Yin, Shaohui, Zhu, Tian, Hevener, Kirk E., Ojeda, Isabel, Lee, Richard E., Daum, Robert S., J

Journal:

Antimicrobial Agents and Chemotherapy

Year:

2019

Language:

english

File:

PDF, 1.17 MB

english, 2019

31

Small-molecule inhibition of the C. difficile FAS-II enzyme, FabK, results in selective activity

Jones, Jesse A., Prior, Allan M., Marreddy, Ravi K. R., Wahrmund, Rebecca D., Hurdle, Julian G., Sun, Dianqing, Hevener, Kirk E.

Journal:

ACS Chemical Biology

Year:

2019

File:

PDF, 1.17 MB

2019

32

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

Shen, Wan-Jou, Deshpande, Aditi, Hevener, Kirk E, Endres, Bradley T, Garey, Kevin W, Palmer, Kelli L, Hurdle, Julian G

Journal:

Journal of Antimicrobial Chemotherapy

Year:

2019

Language:

english

File:

PDF, 811 KB

english, 2019

33

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

Shen, Wan-Jou, Deshpande, Aditi, Hevener, Kirk E, Endres, Bradley T, Garey, Kevin W, Palmer, Kelli L, Hurdle, Julian G

Journal:

Journal of Antimicrobial Chemotherapy

Year:

2019

File:

PDF, 811 KB

2019

34

The second-generation anti-diabetic sulfonylureas inhibit Candida albicans and Candidalysin mediated activation of the NLRP3 inflammasome.

Lowes, David J, Hevener, Kirk E, Peters, Brian M

Journal:

Antimicrobial Agents and Chemotherapy

Year:

2019

File:

PDF, 1.12 MB

2019

35

DPAGT1 Inhibitors of Capuramycin Analogues and Their Antimigratory Activities of Solid Tumors

Mitachi, Katsuhiko, Kansal, Rita G, Hevener, Kirk E., Gillman, Cody D, Hussain, Syed M, Yun, Hyun Gi, Miranda-Carboni, Gustavo A., Glazer, Evan S, Clemons Jr., William M., Kurosu, Michio

Journal:

Journal of Medicinal Chemistry

Year:

2020

File:

PDF, 3.92 MB

2020