Cargando…

NMR-filtered virtual screening leads to non-metal chelating metallo-β-lactamase inhibitors

There are no clinically useful inhibitors of metallo-β-lactamases (MBLs), which are a growing problem because they hydrolyse almost all β-lactam antibacterials. Inhibition by most reported MBL inhibitors involves zinc ion chelation. A structure-based virtual screening approach combined with NMR filt...

Descripción completa

Detalles Bibliográficos
Autores principales:	Li, Guo-Bo, Abboud, Martine I., Brem, Jürgen, Someya, Hidenori, Lohans, Christopher T., Yang, Sheng-Yong, Spencer, James, Wareham, David W., McDonough, Michael A., Schofield, Christopher J.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Royal Society of Chemistry 2017
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5369532/ https://www.ncbi.nlm.nih.gov/pubmed/28451231 http://dx.doi.org/10.1039/c6sc04524c

Ejemplares similares

Use of ferrous iron by metallo-β-lactamases
por: Cahill, Samuel T., et al.
Publicado: (2016)

Studies on the Reactions of Biapenem with VIM Metallo β-Lactamases and the Serine β-Lactamase KPC-2
por: Lucic, Anka, et al.
Publicado: (2022)

Comparison of Verona Integron-Borne Metallo-β-Lactamase (VIM) Variants Reveals Differences in Stability and Inhibition Profiles
por: Makena, Anne, et al.
Publicado: (2016)

Cyclobutanone Mimics of Intermediates in Metallo‐β‐Lactamase Catalysis
por: Abboud, Martine I., et al.
Publicado: (2018)

(19)F‐NMR Reveals the Role of Mobile Loops in Product and Inhibitor Binding by the São Paulo Metallo‐β‐Lactamase
por: Abboud, Martine I., et al.
Publicado: (2017)

Structural Basis of Metallo-β-Lactamase Inhibition by Captopril Stereoisomers
por: Brem, Jürgen, et al.
Publicado: (2015)

Structural basis of metallo-β-lactamase, serine-β-lactamase and penicillin-binding protein inhibition by cyclic boronates
por: Brem, Jürgen, et al.
Publicado: (2016)

Interaction of Avibactam with Class B Metallo-β-Lactamases
por: Abboud, Martine I., et al.
Publicado: (2016)

Cyclic Boronates Inhibit All Classes of β-Lactamases
por: Cahill, Samuel T., et al.
Publicado: (2017)

Monitoring Conformational Changes in the NDM-1 Metallo-β-lactamase by (19)F NMR Spectroscopy**
por: Rydzik, Anna M, et al.
Publicado: (2014)

Studying the active-site loop movement of the São Paolo metallo-β-lactamase-1
por: Brem, Jürgen, et al.
Publicado: (2015)

Profiling interactions of vaborbactam with metallo-β-lactamases
por: Langley, Gareth W., et al.
Publicado: (2019)

Crystal structures of VIM‐1 complexes explain active site heterogeneity in VIM‐class metallo‐β‐lactamases
por: Salimraj, Ramya, et al.
Publicado: (2018)

The Chemical Biology of Human Metallo-β-Lactamase Fold Proteins
por: Pettinati, Ilaria, et al.
Publicado: (2016)

Assay Platform for Clinically Relevant Metallo-β-lactamases
por: van Berkel, Sander S., et al.
Publicado: (2013)

(19)F NMR Monitoring of Reversible Protein Post‐Translational Modifications: Class D β‐Lactamase Carbamylation and Inhibition
por: van Groesen, Emma, et al.
Publicado: (2019)

Monitoring protein-metal binding by (19)F NMR – a case study with the New Delhi metallo-β-lactamase 1
por: Rydzik, Anna M., et al.
Publicado: (2020)

Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-β-lactamases
por: Zhang, Dong, et al.
Publicado: (2018)

Biochemical characterization of New Delhi metallo-β-lactamase variants reveals differences in protein stability
por: Makena, Anne, et al.
Publicado: (2015)

Structural Basis of Metallo-β-lactamase Inhibition by N-Sulfamoylpyrrole-2-carboxylates
por: Farley, Alistair J. M., et al.
Publicado: (2021)

Mechanistic Insights into β-Lactamase-Catalysed Carbapenem Degradation Through Product Characterisation
por: Lohans, Christopher T., et al.
Publicado: (2019)

Correction to “Structural Basis of Metallo-β-lactamase Inhibition by N-Sulfamoylpyrrole-2-carboxylates”
por: Farley, Alistair J. M., et al.
Publicado: (2021)

Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-β-Lactamases
por: Krajnc, Alen, et al.
Publicado: (2019)

A New Mechanism for β‐Lactamases: Class D Enzymes Degrade 1β‐Methyl Carbapenems through Lactone Formation
por: Lohans, Christopher T., et al.
Publicado: (2018)

Studies on enmetazobactam clarify mechanisms of widely used β-lactamase inhibitors
por: Lang, Pauline A., et al.
Publicado: (2022)

Cephalosporins inhibit human metallo β-lactamase fold DNA repair nucleases SNM1A and SNM1B/apollo
por: Lee, Sook Y., et al.
Publicado: (2016)

Crystal structure of human persulfide dioxygenase: structural basis of ethylmalonic encephalopathy
por: Pettinati, Ilaria, et al.
Publicado: (2015)

Binding of 2-(Triazolylthio)acetamides to Metallo-β-lactamase CcrA Determined with NMR
por: Andersson, Hanna, et al.
Publicado: (2020)

Biochemical and biophysical analyses of hypoxia sensing prolyl hydroxylases from Dictyostelium discoideum and Toxoplasma gondii
por: Liu, Tongri, et al.
Publicado: (2021)

Molecular Basis of Class A β-Lactamase Inhibition by Relebactam
por: Tooke, Catherine L., et al.
Publicado: (2019)

Distinct Inhibition Modes of New Delhi Metallo-β-lactamase-1 Revealed by NMR Spectroscopy
por: Cheng, Kai, et al.
Publicado: (2023)

Non‐Hydrolytic β‐Lactam Antibiotic Fragmentation by l,d‐Transpeptidases and Serine β‐Lactamase Cysteine Variants
por: Lohans, Christopher T., et al.
Publicado: (2019)

Will morphing boron-based inhibitors beat the β-lactamases?
por: Krajnc, Alen, et al.
Publicado: (2019)

The Mechanisms of Catalysis by Metallo β-Lactamases
por: Page, Michael I., et al.
Publicado: (2008)

A Fluorescence‐Based Assay for Screening β‐Lactams Targeting the Mycobacterium tuberculosis Transpeptidase Ldt(Mt2)
por: de Munnik, Mariska, et al.
Publicado: (2019)

Interactions of hydrolyzed β-lactams with the L1 metallo-β-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products
por: Hinchliffe, Philip, et al.
Publicado: (2023)

In Vitro Efficacy of Biocompatible Zinc Ion Chelating Molecules as Metallo-β-Lactamase Inhibitor among NDM Producing Escherichia coli
por: Rudresh, Shoorashetty Manohar, et al.
Publicado: (2022)

Structure‐Activity Relationship and Crystallographic Studies on 4‐Hydroxypyrimidine HIF Prolyl Hydroxylase Domain Inhibitors
por: Holt‐Martyn, James P., et al.
Publicado: (2019)

Discovery of Novel New Delhi Metallo-β-Lactamases-1 Inhibitors by Multistep Virtual Screening
por: Wang, Xuequan, et al.
Publicado: (2015)

New metallo β-lactamase NDM-1
por: Raghunath, D.
Publicado: (2010)

Cannot write session to /tmp/vufind_sessions/sess_t3niu9rfhcppvr4pj0epm885pd