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Article ; Online: Durlobactam, a Diazabicyclooctane β-Lactamase Inhibitor, Inhibits BlaC and Peptidoglycan Transpeptidases of

Nantongo, Mary / Nguyen, David C / Bethel, Christopher R / Taracila, Magdalena A / Li, Qing / Dousa, Khalid M / Shin, Eunjeong / Kurz, Sebastian G / Nguyen, Liem / Kreiswirth, Barry N / Boom, W Henry / Plummer, Mark S / Bonomo, Robert A

ACS infectious diseases

2024

Abstract: Peptidoglycan synthesis is an underutilized drug target ... ...

Abstract	Peptidoglycan synthesis is an underutilized drug target in
Language	English
Publishing date	2024-04-15
Publishing country	United States
Document type	Journal Article
ISSN	2373-8227
ISSN (online)	2373-8227
DOI	10.1021/acsinfecdis.4c00119
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Article ; Online: Resistance to Novel β-Lactam-β-Lactamase Inhibitor Combinations: The "Price of Progress".

Papp-Wallace, Krisztina M / Mack, Andrew R / Taracila, Magdalena A / Bonomo, Robert A

Infectious disease clinics of North America

2020 Volume 34, Issue 4, Page(s) 773–819

Abstract: Significant advances were made in antibiotic development during the past 5 years. Novel agents were added to the arsenal that target critical priority pathogens, including multidrug-resistant Pseudomonas aeruginosa and carbapenem-resistant ... ...

Abstract	Significant advances were made in antibiotic development during the past 5 years. Novel agents were added to the arsenal that target critical priority pathogens, including multidrug-resistant Pseudomonas aeruginosa and carbapenem-resistant Enterobacterales. Of these, 4 novel β-lactam-β-lactamase inhibitor combinations (ceftolozane-tazobactam, ceftazidime-avibactam, meropenem-vaborbactam, and imipenem-cilastatin-relebactam) reached clinical approval in the United States. With these additions comes a significant responsibility to reduce the possibility of emergence of resistance. Reports in the rise of resistance toward ceftolozane-tazobactam and ceftazidime-avibactam are alarming. Clinicians and scientists must make every attempt to reverse or halt these setbacks.
MeSH term(s)	Amino Acid Substitution ; Bacteria/drug effects ; Bacteria/genetics ; Drug Combinations ; Drug Resistance, Multiple, Bacterial ; Humans ; Mutagenesis, Insertional ; Sequence Deletion ; United States ; beta-Lactamase Inhibitors/pharmacology ; beta-Lactams/pharmacology
Chemical Substances	Drug Combinations ; beta-Lactamase Inhibitors ; beta-Lactams
Language	English
Publishing date	2020-09-30
Publishing country	United States
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, U.S. Gov't, Non-P.H.S. ; Review
ZDB-ID	1077676-x
ISSN	1557-9824 ; 0891-5520
ISSN (online)	1557-9824
ISSN	0891-5520
DOI	10.1016/j.idc.2020.05.001
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Article ; Online: α-Triazolylboronic Acids: A Promising Scaffold for Effective Inhibitors of KPCs.

Introvigne, Maria Luisa / Taracila, Magdalena A / Prati, Fabio / Caselli, Emilia / Bonomo, Robert A

ChemMedChem

2020 Volume 15, Issue 14, Page(s) 1283–1288

Abstract: Boronic acids are known reversible covalent inhibitors of serine β-lactamases. The selectivity and high potency of specific boronates bearing an amide side chain that mimics the β-lactam's amide side chain have been advanced in several studies. Herein, ... ...

Abstract	Boronic acids are known reversible covalent inhibitors of serine β-lactamases. The selectivity and high potency of specific boronates bearing an amide side chain that mimics the β-lactam's amide side chain have been advanced in several studies. Herein, we describe a new class of boronic acids in which the amide group is replaced by a bioisostere triazole. The boronic acids were obtained in a two-step synthesis that relies on the solid and versatile copper-catalyzed azide-alkyne cycloaddition (CuAAC) followed by boronate deprotection. All of the compounds show very good inhibition of the Klebsiella pneumoniae carbapenemase KPC-2, with K
MeSH term(s)	Anti-Bacterial Agents/chemical synthesis ; Anti-Bacterial Agents/chemistry ; Anti-Bacterial Agents/pharmacology ; Bacterial Proteins/antagonists & inhibitors ; Bacterial Proteins/isolation & purification ; Bacterial Proteins/metabolism ; Boronic Acids/chemical synthesis ; Boronic Acids/chemistry ; Boronic Acids/pharmacology ; Dose-Response Relationship, Drug ; Klebsiella pneumoniae/drug effects ; Klebsiella pneumoniae/enzymology ; Microbial Sensitivity Tests ; Molecular Structure ; Structure-Activity Relationship ; Triazoles/chemical synthesis ; Triazoles/chemistry ; Triazoles/pharmacology ; beta-Lactamase Inhibitors/chemical synthesis ; beta-Lactamase Inhibitors/chemistry ; beta-Lactamase Inhibitors/pharmacology ; beta-Lactamases/isolation & purification ; beta-Lactamases/metabolism
Chemical Substances	Anti-Bacterial Agents ; Bacterial Proteins ; Boronic Acids ; Triazoles ; beta-Lactamase Inhibitors ; beta-Lactamases (EC 3.5.2.6) ; carbapenemase-2, Klebsiella pneumoniae (EC 3.5.2.6)
Language	English
Publishing date	2020-06-22
Publishing country	Germany
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't ; Research Support, U.S. Gov't, Non-P.H.S.
ZDB-ID	2218496-X
ISSN	1860-7187 ; 1860-7179
ISSN (online)	1860-7187
ISSN	1860-7179
DOI	10.1002/cmdc.202000126
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Article: The Effectiveness of Imipenem-Relebactam against Ceftazidime-Avibactam Resistant Variants of the KPC-2 β-Lactamase.

Papp-Wallace, Krisztina M / Barnes, Melissa D / Taracila, Magdalena A / Bethel, Christopher R / Rutter, Joseph D / Zeiser, Elise T / Young, Katherine / Bonomo, Robert A

Antibiotics (Basel, Switzerland)

2023 Volume 12, Issue 5

Abstract: Background: Ceftazidime-avibactam was approved by the FDA to treat infections caused by Enterobacterales carrying : Methods: The activity of imipenem-relebactam was assessed against a panel of 19 KPC-2 D179 variants. KPC-2 and the D179N and D179Y ... ...

Abstract	Background: Ceftazidime-avibactam was approved by the FDA to treat infections caused by Enterobacterales carrying Methods: The activity of imipenem-relebactam was assessed against a panel of 19 KPC-2 D179 variants. KPC-2 and the D179N and D179Y variants were purified for biochemical analyses. Molecular models were constructed with imipenem to assess differences in kinetic profiles. Results: All strains were susceptible to imipenem-relebactam, but resistant to ceftazidime (19/19) and ceftazidime-avibactam (18/19). KPC-2 and the D179N variant hydrolyzed imipenem, but the D179N variant's rate was much slower. The D179Y variant was unable to turnover imipenem. All three β-lactamases hydrolyzed ceftazidime at varying rates. The acylation rate of relebactam for the D179N variant was ~2.5× lower than KPC-2. Poor catalytic turnover by the D179Y variant precluded the determination of inhibitory kinetic parameters. Acyl-complexes with imipenem and ceftazidime were less prevalent with the D179N variant compared to the D179Y variant, supporting the kinetic observations that the D179Y variant was not as active as the D179N variant. Relebactam was slower to form an acyl-complex with the D179Y variant compared to avibactam. The D179Y model with imipenem revealed that the catalytic water molecule was shifted, and the carbonyl of imipenem was not within the oxyanion hole. Conversely in the D179N model, imipenem was oriented favorably for deacylation. Conclusions: Imipenem-relebactam overcame the resistance of the D179 variants, suggesting that this combination will be active against clinical isolates harboring these derivatives of KPC-2.
Language	English
Publishing date	2023-05-11
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2681345-2
ISSN	2079-6382
ISSN	2079-6382
DOI	10.3390/antibiotics12050892
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Article ; Online: Natural protein engineering in the Ω-loop: the role of Y221 in ceftazidime and ceftolozane resistance in

Mack, Andrew R / Kumar, Vijay / Taracila, Magdalena A / Mojica, Maria F / O'Shea, Margaret / Schinabeck, William / Silver, Galen / Hujer, Andrea M / Papp-Wallace, Krisztina M / Chen, Shuang / Haider, Shozeb / Caselli, Emilia / Prati, Fabio / van den Akker, Focco / Bonomo, Robert A

Antimicrobial agents and chemotherapy

2023 Volume 67, Issue 11, Page(s) e0079123

Abstract: A wide variety of clinically observed single amino acid substitutions in the Ω-loop region have been associated with increased minimum inhibitory concentrations and resistance to ceftazidime (CAZ) and ceftolozane (TOL) ... ...

Abstract	A wide variety of clinically observed single amino acid substitutions in the Ω-loop region have been associated with increased minimum inhibitory concentrations and resistance to ceftazidime (CAZ) and ceftolozane (TOL) in
MeSH term(s)	Ceftazidime/pharmacology ; Cephalosporinase/metabolism ; Pseudomonas/genetics ; Molecular Docking Simulation ; beta-Lactamases/metabolism ; Protein Engineering ; Microbial Sensitivity Tests ; Anti-Bacterial Agents/pharmacology ; Anti-Bacterial Agents/metabolism ; Azabicyclo Compounds/pharmacology ; Pseudomonas aeruginosa/metabolism ; Drug Combinations
Chemical Substances	Ceftazidime (9M416Z9QNR) ; ceftolozane (37A4IES95Q) ; Cephalosporinase (EC 3.5.2.-) ; S02030 ; beta-Lactamases (EC 3.5.2.6) ; Anti-Bacterial Agents ; Azabicyclo Compounds ; Drug Combinations
Language	English
Publishing date	2023-10-18
Publishing country	United States
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
ZDB-ID	217602-6
ISSN	1098-6596 ; 0066-4804
ISSN (online)	1098-6596
ISSN	0066-4804
DOI	10.1128/aac.00791-23
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Article: Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in

Introvigne, Maria Luisa / Beardsley, Trevor J / Fernando, Micah C / Leonard, David A / Wallar, Bradley J / Rudin, Susan D / Taracila, Magdalena A / Rather, Philip N / Colquhoun, Jennifer M / Song, Shaina / Fini, Francesco / Hujer, Kristine M / Hujer, Andrea M / Prati, Fabio / Powers, Rachel A / Bonomo, Robert A / Caselli, Emilia

Antibiotics (Basel, Switzerland)

2023 Volume 12, Issue 4

Abstract: Acinetobacter ... ...

Abstract	Acinetobacter baumannii
Language	English
Publishing date	2023-03-24
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2681345-2
ISSN	2079-6382
ISSN	2079-6382
DOI	10.3390/antibiotics12040644
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Article ; Online: Boronic Acid Transition State Inhibitors as Potent Inactivators of KPC and CTX-M β-Lactamases: Biochemical and Structural Analyses.

Alsenani, Tahani A / Rodríguez, María Margarita / Ghiglione, Barbara / Taracila, Magdalena A / Mojica, Maria F / Rojas, Laura J / Hujer, Andrea M / Gutkind, Gabriel / Bethel, Christopher R / Rather, Philip N / Introvigne, Maria Luisa / Prati, Fabio / Caselli, Emilia / Power, Pablo / van den Akker, Focco / Bonomo, Robert A

Antimicrobial agents and chemotherapy

2023 Volume 67, Issue 1, Page(s) e0093022

Abstract: Design of novel β-lactamase inhibitors (BLIs) is one of the currently accepted strategies to combat the threat of cephalosporin and carbapenem resistance in Gram-negative bacteria. ...

Abstract	Design of novel β-lactamase inhibitors (BLIs) is one of the currently accepted strategies to combat the threat of cephalosporin and carbapenem resistance in Gram-negative bacteria.
MeSH term(s)	beta-Lactamases/genetics ; beta-Lactamases/chemistry ; Triazoles ; beta-Lactamase Inhibitors/pharmacology ; Boronic Acids/pharmacology ; Boronic Acids/chemistry ; Penicillins ; Anti-Bacterial Agents/pharmacology ; Microbial Sensitivity Tests
Chemical Substances	S02030 ; beta-Lactamases (EC 3.5.2.6) ; Triazoles ; beta-Lactamase Inhibitors ; Boronic Acids ; Penicillins ; Anti-Bacterial Agents
Language	English
Publishing date	2023-01-05
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, U.S. Gov't, Non-P.H.S.
ZDB-ID	217602-6
ISSN	1098-6596 ; 0066-4804
ISSN (online)	1098-6596
ISSN	0066-4804
DOI	10.1128/aac.00930-22
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Article ; Online: Predicting β-lactam resistance using whole genome sequencing in Klebsiella pneumoniae: the challenge of β-lactamase inhibitors.

Hujer, Andrea M / Long, S Wesley / Olsen, Randall J / Taracila, Magdalena A / Rojas, Laura J / Musser, James M / Bonomo, Robert A

Diagnostic microbiology and infectious disease

2020 Volume 98, Issue 3, Page(s) 115149

Abstract: Although multiple antimicrobial resistance (AMR) determinants can confer the same in vitro antimicrobial susceptibility testing (AST) phenotype, their differing effect on optimal therapeutic choices is uncertain. Using a large population-based collection ...

Abstract	Although multiple antimicrobial resistance (AMR) determinants can confer the same in vitro antimicrobial susceptibility testing (AST) phenotype, their differing effect on optimal therapeutic choices is uncertain. Using a large population-based collection of clinical strains spanning a 3.5-year period, we applied WGS to detect inhibitor resistant (IR), extended-spectrum β-lactamase (ESBL), and carbapenem resistant (CR) β-lactamase (bla) genes and compared the genotype to the AST phenotype in select isolates. All bla
MeSH term(s)	Amino Acid Sequence ; Anti-Bacterial Agents/pharmacology ; Drug Resistance, Multiple, Bacterial ; Gene Expression Regulation, Bacterial/drug effects ; Gene Expression Regulation, Enzymologic ; Genome, Bacterial ; Genotype ; Klebsiella pneumoniae/drug effects ; Whole Genome Sequencing ; beta-Lactamase Inhibitors/pharmacology ; beta-Lactamases/chemistry ; beta-Lactamases/metabolism ; beta-Lactams/pharmacology
Chemical Substances	Anti-Bacterial Agents ; beta-Lactamase Inhibitors ; beta-Lactams ; beta-lactamase PIT-2 (EC 3.5.2.-) ; beta-Lactamases (EC 3.5.2.6)
Language	English
Publishing date	2020-07-25
Publishing country	United States
Document type	Journal Article
ZDB-ID	604920-5
ISSN	1879-0070 ; 0732-8893
ISSN (online)	1879-0070
ISSN	0732-8893
DOI	10.1016/j.diagmicrobio.2020.115149
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Article ; Online: Inhibiting Mycobacterium abscessus Cell Wall Synthesis: Using a Novel Diazabicyclooctane β-Lactamase Inhibitor To Augment β-Lactam Action.

Dousa, Khalid M / Nguyen, David C / Kurz, Sebastian G / Taracila, Magdalena A / Bethel, Christopher R / Schinabeck, William / Kreiswirth, Barry N / Brown, Sheldon T / Boom, W Henry / Hotchkiss, Richard S / Remy, Kenneth E / Jacono, Frank J / Daley, Charles L / Holland, Steven M / Miller, Alita A / Bonomo, Robert A

mBio

2022 Volume 13, Issue 1, Page(s) e0352921

Abstract: Mycobacterium abscessus ( ...

Abstract	Mycobacterium abscessus (
MeSH term(s)	Humans ; beta-Lactams/pharmacology ; beta-Lactamase Inhibitors/pharmacology ; Anti-Bacterial Agents/pharmacology ; Mycobacterium abscessus ; Cefuroxime/pharmacology ; Microbial Sensitivity Tests ; Imipenem/pharmacology ; Amoxicillin/pharmacology ; Amoxicillin/therapeutic use ; beta-Lactamases
Chemical Substances	beta-Lactams ; beta-Lactamase Inhibitors ; Anti-Bacterial Agents ; durlobactam (PSA33KO9WA) ; Cefuroxime (O1R9FJ93ED) ; Imipenem (71OTZ9ZE0A) ; Amoxicillin (804826J2HU) ; beta-Lactamases (EC 3.5.2.6)
Language	English
Publishing date	2022-01-25
Publishing country	United States
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, U.S. Gov't, Non-P.H.S.
ZDB-ID	2557172-2
ISSN	2150-7511 ; 2161-2129
ISSN (online)	2150-7511
ISSN	2161-2129
DOI	10.1128/mbio.03529-21
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Article ; Online: Different Conformations Revealed by NMR Underlie Resistance to Ceftazidime/Avibactam and Susceptibility to Meropenem and Imipenem among D179Y Variants of KPC β-Lactamase.

Taracila, Magdalena A / Bethel, Christopher R / Hujer, Andrea M / Papp-Wallace, Krisztina M / Barnes, Melissa D / Rutter, Joseph D / VanPelt, Jamie / Shurina, Ben A / van den Akker, Focco / Clancy, Cornelius J / Nguyen, M Hong / Cheng, Shaoji / Shields, Ryan K / Page, Richard C / Bonomo, Robert A

Antimicrobial agents and chemotherapy

2022 Volume 66, Issue 4, Page(s) e0212421

Abstract: β-Lactamase-mediated resistance to ceftazidime-avibactam (CZA) is a serious limitation in the treatment of Gram-negative bacteria harboring Klebsiella pneumoniae carbapenemase (KPC). Herein, the basis of susceptibility to carbapenems and resistance to ... ...

Abstract	β-Lactamase-mediated resistance to ceftazidime-avibactam (CZA) is a serious limitation in the treatment of Gram-negative bacteria harboring Klebsiella pneumoniae carbapenemase (KPC). Herein, the basis of susceptibility to carbapenems and resistance to ceftazidime (CAZ) and CZA of the D179Y variant of KPC-2 and -3 was explored. First, we determined that resistance to CZA in a laboratory strain of Escherichia coli DH10B was not due to increased expression levels of the variant enzymes, as demonstrated by reverse transcription PCR (RT-PCR). Using timed mass spectrometry, the D179Y variant formed prolonged acyl-enzyme complexes with imipenem (IMI) and meropenem (MEM) in KPC-2 and KPC-3, which could be detected up to 24 h, suggesting that IMI and MEM act as covalent β-lactamase inhibitors more than as substrates for D179Y KPC-2 and -3. This prolonged acyl-enzyme complex of IMI and MEM by D179Y variants was not observed with wild-type (WT) KPCs. CAZ was studied and the D179Y variants also formed acyl-enzyme complexes (1 to 2 h). Thermal denaturation and differential scanning fluorimetry showed that the tyrosine substitution at position 179 destabilized the KPC β-lactamases (KPC-2/3 melting temperature [
MeSH term(s)	Anti-Bacterial Agents/pharmacology ; Anti-Bacterial Agents/therapeutic use ; Azabicyclo Compounds/pharmacology ; Bacterial Proteins/genetics ; Bacterial Proteins/metabolism ; Ceftazidime/pharmacology ; Drug Combinations ; Escherichia coli/genetics ; Escherichia coli/metabolism ; Humans ; Imipenem/pharmacology ; Klebsiella Infections/drug therapy ; Klebsiella pneumoniae ; Magnetic Resonance Spectroscopy ; Meropenem/pharmacology ; Microbial Sensitivity Tests ; beta-Lactamases/genetics ; beta-Lactamases/metabolism
Chemical Substances	Anti-Bacterial Agents ; Azabicyclo Compounds ; Bacterial Proteins ; Drug Combinations ; avibactam, ceftazidime drug combination ; Imipenem (71OTZ9ZE0A) ; avibactam (7352665165) ; Ceftazidime (9M416Z9QNR) ; beta-Lactamases (EC 3.5.2.6) ; carbapenemase (EC 3.5.2.6) ; Meropenem (FV9J3JU8B1)
Language	English
Publishing date	2022-03-21
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, N.I.H., Extramural ; Research Support, U.S. Gov't, Non-P.H.S.
ZDB-ID	217602-6
ISSN	1098-6596 ; 0066-4804
ISSN (online)	1098-6596
ISSN	0066-4804
DOI	10.1128/aac.02124-21
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