Metallo-β-lactamases in the age of multidrug resistance: from structure and mechanism to evolution, dissemination, and inhibitor design

G Bahr, LJ Gonzalez, AJ Vila - Chemical reviews, 2021 - ACS Publications
Antimicrobial resistance is one of the major problems in current practical medicine. The
spread of genes coding for resistance determinants among bacteria challenges the use of …

A perspective on enzyme catalysis

SJ Benkovic, S Hammes-Schiffer - Science, 2003 - science.org
The seminal hypotheses proposed over the years for enzymatic catalysis are scrutinized.
The historical record is explored from both biochemical and theoretical perspectives …

Structural survey of zinc-containing proteins and development of the zinc AMBER force field (ZAFF)

MB Peters, Y Yang, B Wang… - Journal of chemical …, 2010 - ACS Publications
Currently the Protein Data Bank (PDB) contains over 25 000 structures that contain a metal
ion including Na, Mg, K, Ca, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Pd, Ag, Cd, Ir, Pt, Au, and Hg. In …

Synthetic analogues relevant to the structure and function of zinc enzymes

G Parkin - Chemical Reviews, 2004 - ACS Publications
Zinc is essential to all forms of life, 1-4 with an average adult human containing ca. 3 g of
zinc. 5 For example, zinc is indispensable for effective growth and development, has …

Metallo-β-lactamases: novel weaponry for antibiotic resistance in bacteria

MW Crowder, J Spencer, AJ Vila - Accounts of chemical research, 2006 - ACS Publications
Metallo-β-lactamases are broad-spectrum zinc enzymes, able to inactivate most clinically
useful β-lactam antibiotics. Their structural and functional diversity has thus far limited the …

A general reaction mechanism for carbapenem hydrolysis by mononuclear and binuclear metallo-β-lactamases

MN Lisa, AR Palacios, M Aitha, MM González… - Nature …, 2017 - nature.com
Carbapenem-resistant Enterobacteriaceae threaten human health, since carbapenems are
last resort drugs for infections by such organisms. Metallo-β-lactamases (MβLs) are the main …

Mode of action of bi-and trinuclear zinc hydrolases and their synthetic analogues

J Weston - Chemical reviews, 2005 - ACS Publications
In living organisms it is necessary to be able to perform countless hydrolysis reactions
efficiently and, above all, selectively to sustain thousands, maybe even millions, of critical …

Structural basis of metallo-β-lactamase resistance to taniborbactam

SI Drusin, C Le Terrier, L Poirel… - Antimicrobial Agents …, 2024 - Am Soc Microbiol
The design of inhibitors against metallo-β-lactamases (MBLs), the largest family of
carbapenemases, has been a strategic goal in designing novel antimicrobial therapies. In …

Target-related applications of first principles quantum chemical methods in drug design

A Cavalli, P Carloni, M Recanatini - Chemical reviews, 2006 - ACS Publications
A fundamental postulate in the classical drug design paradigm is that the effect of a drug in
the human body is a consequence of the molecular recognition between a ligand (the drug) …

Structural role of K224 in taniborbactam inhibition of NDM-1

D Ono, MF Mojica, CR Bethel, Y Ishii… - Antimicrobial Agents …, 2024 - Am Soc Microbiol
ABSTRACT Taniborbactam (TAN; VNRX-5133) is a novel bicyclic boronic acid β-lactamase
inhibitor (BLI) being developed in combination with cefepime (FEP). TAN inhibits both serine …