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Volume 27
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Article

Synthesis, Biological Evaluation, and Computational Analysis of 1,4-Naphthoquinone Derivatives as Inhibitors of the Sodium-Dependent NADH:Ubiquinone Oxidoreductase (NQR) in Vibrio cholerae

by
Zachary J. Liveris
1,
Ming Yuan
2,
Yuyao Hu
2,
Jennifer M. Sorescu
2,
Karina Tuz
2,
Oscar X. Juárez
2,* and
Daniel P. Becker
1,*
1
Department of Chemistry and Biochemistry, Loyola University Chicago, 1032 West Sheridan Road, Chicago, IL 60660, USA
2
Department of Biological Sciences, Illinois Institute of Technology, Chicago, IL 60616, USA
*
Authors to whom correspondence should be addressed.
Int. J. Mol. Sci. 2026, 27(3), 1198; https://doi.org/10.3390/ijms27031198 (registering DOI)
Submission received: 13 December 2025 / Revised: 20 January 2026 / Accepted: 21 January 2026 / Published: 24 January 2026
(This article belongs to the Topic Enzymes and Enzyme Inhibitors in Drug Research)
Versions Notes

Abstract

The therapeutic efficacy of antibiotics has been significant in extending human life expectancy by combating virulent bacterial infections. Nevertheless, multidrug-resistant (MDR) microorganisms remain a global crisis as these bacteria have developed resistance to conventional antibacterial agents. An unexplored antibiotic target found exclusively in bacteria is the Na+-translocating NADH:ubiquinone oxidoreductase (NQR), which is an indispensable membrane-bound bacterial enzyme complex that enables cellular functionality and is present in many infectious bacterial species, including Vibrio cholerae and H. influenzae. NQR serves as an essential complex in the bacterial electron transport chain (ETC) and operates as a highly conserved primary Na+ pump that drives many bioenergetic functions. This six-subunit protein shuttles electrons from NADH to ubiquinone, which drives the translocation of Na+ ions and creates a gradient that provides the driving force for various cellular processes. We have synthesized and evaluated a series of 1,4-naphthoquinones that exhibit high potency against NQR with minimal cytotoxicity and potential to serve as new, NQR-targeting antibacterial agents for use against V. cholerae.
Keywords: sodium-dependent NADH:ubiquinone oxidoreductase; NQR; naphthoquinone; antibiotic; cholera sodium-dependent NADH:ubiquinone oxidoreductase; NQR; naphthoquinone; antibiotic; cholera

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MDPI and ACS Style

Liveris, Z.J.; Yuan, M.; Hu, Y.; Sorescu, J.M.; Tuz, K.; Juárez, O.X.; Becker, D.P. Synthesis, Biological Evaluation, and Computational Analysis of 1,4-Naphthoquinone Derivatives as Inhibitors of the Sodium-Dependent NADH:Ubiquinone Oxidoreductase (NQR) in Vibrio cholerae. Int. J. Mol. Sci. 2026, 27, 1198. https://doi.org/10.3390/ijms27031198

AMA Style

Liveris ZJ, Yuan M, Hu Y, Sorescu JM, Tuz K, Juárez OX, Becker DP. Synthesis, Biological Evaluation, and Computational Analysis of 1,4-Naphthoquinone Derivatives as Inhibitors of the Sodium-Dependent NADH:Ubiquinone Oxidoreductase (NQR) in Vibrio cholerae. International Journal of Molecular Sciences. 2026; 27(3):1198. https://doi.org/10.3390/ijms27031198

Chicago/Turabian Style

Liveris, Zachary J., Ming Yuan, Yuyao Hu, Jennifer M. Sorescu, Karina Tuz, Oscar X. Juárez, and Daniel P. Becker. 2026. "Synthesis, Biological Evaluation, and Computational Analysis of 1,4-Naphthoquinone Derivatives as Inhibitors of the Sodium-Dependent NADH:Ubiquinone Oxidoreductase (NQR) in Vibrio cholerae" International Journal of Molecular Sciences 27, no. 3: 1198. https://doi.org/10.3390/ijms27031198

APA Style

Liveris, Z. J., Yuan, M., Hu, Y., Sorescu, J. M., Tuz, K., Juárez, O. X., & Becker, D. P. (2026). Synthesis, Biological Evaluation, and Computational Analysis of 1,4-Naphthoquinone Derivatives as Inhibitors of the Sodium-Dependent NADH:Ubiquinone Oxidoreductase (NQR) in Vibrio cholerae. International Journal of Molecular Sciences, 27(3), 1198. https://doi.org/10.3390/ijms27031198

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