Computing allostery: from the understanding of biomolecular regulation and the discovery of cryptic sites to molecular design

G Colombo - Current Opinion in Structural Biology, 2023 - Elsevier
The concept of allostery has become a central tenet in the study of biological systems. In
parallel, the discovery of allosteric drugs is generating new opportunities to selectively …

Epistasis arises from shifting the rate-limiting step during enzyme evolution of a β-lactamase

C Fröhlich, HA Bunzel, K Buda, AJ Mulholland… - Nature Catalysis, 2024 - nature.com
Epistasis, the non-additive effect of mutations, can provide combinatorial improvements to
enzyme activity that substantially exceed the gains from individual mutations. Yet the …

Electric Fields Are a Key Determinant of Carbapenemase Activity in Class A β-Lactamases

H Jabeen, M Beer, J Spencer, MW Van der Kamp… - ACS …, 2024 - ACS Publications
Resistance to antibiotics is a public health crisis. Although carbapenems are less
susceptible to resistance than other β-lactam antibiotics, β-lactamases mediating resistance …

Drug Discovery in the Field of β-Lactams: An Academic Perspective

LMC Jacobs, P Consol, Y Chen - Antibiotics, 2024 - mdpi.com
β-Lactams are the most widely prescribed class of antibiotics that inhibit penicillin-binding
proteins (PBPs), particularly transpeptidases that function in peptidoglycan synthesis. A …

Decarboxylation of the Catalytic Lysine Residue by the C5α-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the OXA-58 Carbapenemase

M Toth, NK Stewart, AO Maggiolo, P Quan… - ACS Infectious …, 2024 - ACS Publications
Antibiotic resistance in bacteria is a major global health concern. The wide spread of
carbapenemases, bacterial enzymes that degrade the last-resort carbapenem antibiotics, is …

Molecular insights into the evolutionary trajectory of a Klebsiella aerogenes clinical isolate with a complex trade-off between resistance and virulence

Y Sereme, H Faury, V Gravrand, E Ageron… - Antimicrobial Agents …, 2024 - journals.asm.org
The fitness cost associated with antimicrobial resistance has an important influence on
evolutionary dynamics. We compared the genomes of three Klebsiella aerogenes isolates …

Identification of blaKPC-90 in Klebsiella pneumoniae associated with ceftazidime-avibactam resistance and the translocation & truncation of resistant genes mediated …

W Yang, H Xu, Y Zhao, W Chen, X Ma, F Hu - International Journal of …, 2025 - Elsevier
Objectives In this study, we discovered bla KPC-90 in ceftazidime-avibactam resistant
clinical isolates of K. pneumoniae from a patient with multiple comorbidities and investigated …

Spread and evolution of blaKPC-plasmid between Serratia marcescens and Klebsiella pneumoniae

W Yang, C Tang, S Shen, Q Shi, F Hu - International Journal of …, 2024 - Elsevier
Objectives bla KPC-carrying Enterobacterales have post great challenges to global
healthcare systems. In this study, we reported the evolution and spread of bla KPC between …

Structural comparison of substrate-binding pockets of serine β-lactamases in classes A, C, and D

H Lee, H Park, K Kwak, C Lee, J Yun… - Journal of Enzyme …, 2025 - Taylor & Francis
Abstract β-lactams have been the most successful antibiotics, but the rise of multi-drug
resistant (MDR) bacteria threatens their effectiveness. Serine β-lactamases (SBLs), among …

Global emergence of double and multi-carbapenemase producing organisms: epidemiology, clinical significance, and evolutionary benefits on antimicrobial …

PB Yuan, LT Dai, QK Zhang, YX Zhong… - Microbiology …, 2024 - Am Soc Microbiol
Redundant carbapenemase-producing (RCP) bacteria, which carry double or multiple
carbapenemases, represent a new and concerning phenomenon. The objective of this study …