In silico fragment based design identifies subfamily B1 metallo-β-lactamase inhibitors

In silico fragment based design identifies subfamily B1 metallo-β-lactamase inhibitors

<p>Zinc ion dependent β-lactamases (MBLs) catalyze the hydrolysis of almost all β-lactam antibiotics and resist the action of clinically available β-lactamase inhibitors. We report how application of <i>in silico</i> fragment-based molecular design employing thiol-mediated metal a...

書目詳細資料
Main Authors:	Cain, R, Brem, J, Zollman, D, McDonough, M, Johnson, R, Spencer, J, Makena, A, Abboud, M, Cahill, S, Lee, S, McHugh, P, Schofield, C, Fishwick, C
格式:	Journal article
語言:	English
出版:	American Chemical Society 2017

相似書籍

Structural basis of metallo-β-lactamase inhibition by captopril stereoisomers
由: Brem, J, et al.
出版: (2015)

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

Use of ferrous iron by metallo-β-lactamases.
由: Cahill, S, et al.
出版: (2016)

“To cross-seed or not to cross-seed”: A pilot study using metallo-β-lactamases
由: Abuhammad, A, et al.
出版: (2016)

Structural basis of metallo-β-lactamase, serine-β-lactamase and penicillin-binding protein inhibition by cyclic boronates
由: Jürgen Brem, et al.
出版: (2016-08-01)

Comparison of verona integron-borne metallo-β-lactamase (VIM) variants reveals differences in stability and inhibition profiles
由: Makena, A, et al.
出版: (2016)

The chemical biology of human metallo-β-lactamase fold proteins.
由: Pettinati, I, et al.
出版: (2016)

Assay platform for clinically relevant metallo-β-lactamases.
由: van Berkel, S, et al.
出版: (2013)

NMR-filtered virtual screening leads to non-metal chelating metallo-β-lactamase inhibitors
由: Li, G, et al.
出版: (2017)

Studies on the Reactions of Biapenem with VIM Metallo β-Lactamases and the Serine β-Lactamase KPC-2
由: Anka Lucic, et al.
出版: (2022-03-01)

Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-β-lactamase inhibition
由: Li, G, et al.
出版: (2017)

Faropenem reacts with serine and metallo-β-lactamases to give multiple products
由: Lucic, A, et al.
出版: (2021)

Cyclic Boronates Inhibit All Classes of β-Lactamase.
由: Cahill, S, et al.
出版: (2017)

Rhodanine hydrolysis leads to potent thioenolate mediated metallo-β-lactamase inhibition.
由: Brem, J, et al.
出版: (2014)

Cyclobutanone mimics of intermediates in metallo-β-lactamase catalysis.
由: Abboud, M, et al.
出版: (2017)

Profiling interactions of vaborbactam with metallo-β-lactamases
由: Langley, G, et al.
出版: (2019)

Chromophore-linked substrate (CLS405): probing metallo-β-lactamase activity and inhibition.
由: Makena, A, et al.
出版: (2013)

Chromophore-linked substrate (CLS405): Probing metallo-β-lactamase activity and inhibition
由: Makena, A, et al.
出版: (2013)

In vitro and in vivo activity of ML302F: a thioenolate inhibitor of VIM-subfamily metallo β-lactamases
由: Betts, J, et al.
出版: (2015)

Studies on the inhibition of AmpC and other β-lactamases by cyclic boronates
由: Cahill, S, et al.
出版: (2019)

Monitoring conformational changes in the NDM-1 metallo-β-lactamase by 19F NMR spectroscopy.
由: Rydzik, A, et al.
出版: (2014)

Interaction of Avibactam with Class B Metallo-β-Lactamases.
由: Abboud, M, et al.
出版: (2016)

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

Cephalosporins inhibit human metallo β-lactamase fold DNA repair nucleases SNM1A and SNM1B/apollo
由: Lee, S, et al.
出版: (2016)

19F-NMR reveals the role of mobile loops in product and inhibitor binding by the São Paolo metallo-β-lactamase
由: Abboud, M, et al.
出版: (2017)

Rh(III)-catalyzed directed C–H carbenoid coupling reveals aromatic bisphosphonates inhibiting metallo- and Serine-β-lactamases
由: Zhang, C, et al.
出版: (2018)

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

New Delhi metallo-beta-lactamase 1 catalyzes avibactam and aztreonam hydrolysis
由: Lohans, C, et al.
出版: (2017)

New Delhi metallo-β-lactamase-1 catalyses avibactam and aztreonam hydrolysis.
由: Lohans, C, et al.
出版: (2017)

Structural and biochemical characterisation of bacterial metallo-β-lactamases
由: Makena, A
出版: (2016)

Biochemical characterization of New Delhi metallo-β-lactamase variants reveals differences in protein stability.
由: Makena, A, et al.
出版: (2014)

Synthesis of metallo-beta-lactamase inhibitors
由: Walter, M, et al.
出版: (1997)

Inhibitors of the FEZ-1 metallo-beta-lactamase.
由: Liénard, B, et al.
出版: (2007)

Bicyclic boronate VNRX-5133 inhibits metallo- and serine-β-lactamases
由: Krajnc, A, et al.
出版: (2019)

Structural basis of metallo-β-lactamase inhibition by N-sulfamoylpyrrole-2-carboxylates
由: Farley, AJM, et al.
出版: (2021)

The inhibition of metallo-beta-lactamase by thioxo-cephalosporin derivatives.
由: Tsang, W, et al.
出版: (2004)

13 C-Carbamylation as a mechanistic probe for the inhibition of class D β-lactamases by avibactam and halide ions
由: Lohans, C, et al.
出版: (2017)

Optimized synthesis of indole carboxylate metallo-beta-lactamase inhibitor EBL-3183
由: Baran, A, et al.
出版: (2023)

Trifluoromethyl alcohol and ketone inhibitors of metallo-beta-lactamases
由: Walter, M, et al.
出版: (1996)

Exploring New Delhi Metallo Beta Lactamases in Klebsiella pneumoniae and Escherichia coli: genotypic vs. phenotypic insights
由: Noor Ul Ain, et al.
出版: (2025-02-01)