Three new inhibitors of class A β-lactamases evaluated by molecular docking and dynamics simulations methods: relebactam, enmetazobactam, and QPX7728
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-022-05073-3
Abstract: Antibiotic-resistant Acinetobacter baumannii, Pseudomonas aeruginosa, Mycobacterium tuberculosis, Staphylococcus aureus, and Enterobacterales infections are serious global health problems, and class A β-lactamases are one mechanism that leads to antibiotic resistance. QPX7728, relebactam, and enmetazobactam are new… read more here.
Keywords: class lactamases; molecular docking; new inhibitors; three new ... See more keywords
Structure-Based Screening of Non-β-Lactam Inhibitors against Class D β-Lactamases: An Approach of Docking and Molecular Dynamics
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DOI: 10.1021/acsomega.0c00356
Abstract: The manifestation of class D β-lactamases in the community raises significant concern as they can hydrolyze carbapenem antibiotics. Hence, it is exceptionally alluring to design novel inhibitors. Structure-based virtual screening using docking programs and molecular… read more here.
Keywords: non lactam; structure based; class lactamases; molecular dynamics ... See more keywords
Structural Basis and Binding Kinetics of Vaborbactam in Class A β-Lactamase Inhibition
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DOI: 10.1128/aac.00398-20
Abstract: Class A β-lactamases are a major cause of β-lactam resistance in Gram-negative bacteria. The recently FDA-approved cyclic boronate vaborbactam is a reversible covalent inhibitor of class A β-lactamases, including CTX-M extended-spectrum β-lactamase and KPC carbapenemase,… read more here.
Keywords: ctx; binding kinetics; lactamase; class lactamases ... See more keywords
A Unified Numbering Scheme for Class C β-Lactamases
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DOI: 10.1128/aac.02247-19
Abstract: A standard numbering scheme has been proposed for class C β-lactamases. This will significantly enhance comparison of biochemical and biophysical studies performed on different members of this class of enzymes and facilitate communication in the… read more here.
Keywords: unified numbering; numbering scheme; class lactamases; class ... See more keywords
Class C β-Lactamases: Molecular Characteristics
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DOI: 10.1128/cmr.00150-21
Abstract: Class C β-lactamases or cephalosporinases can be classified into two functional groups (1, 1e) with considerable molecular variability (≤20% sequence identity). These enzymes are mostly encoded by chromosomal and inducible genes and are widespread among… read more here.
Keywords: lactamases molecular; enzymes mostly; deletion; class ... See more keywords
The Role of Hydrophobic Nodes in the Dynamics of Class A β-Lactamases
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DOI: 10.3389/fmicb.2021.720991
Abstract: Class A β-lactamases are known for being able to rapidly gain broad spectrum catalytic efficiency against most β-lactamase inhibitor combinations as a result of elusively minor point mutations. The evolution in class A β-lactamases occurs… read more here.
Keywords: hydrophobic nodes; class; class lactamases; active site ... See more keywords
Interactions between Avibactam and Ceftazidime-Hydrolyzing Class D β-Lactamases
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DOI: 10.3390/biom10030483
Abstract: Class D β-lactamases exhibit very heterogeneous hydrolysis activity spectra against the various types of clinically useful β-lactams. Similarly, and according to the available data, their sensitivities to inactivation by avibactam can vary by a factor… read more here.
Keywords: ceftazidime hydrolyzing; hydrolyzing class; avibactam ceftazidime; class ... See more keywords
Tackling the Antibiotic Resistance Caused by Class A β-Lactamases through the Use of β-Lactamase Inhibitory Protein
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DOI: 10.3390/ijms19082222
Abstract: β-Lactams are the most widely used and effective antibiotics for the treatment of infectious diseases. Unfortunately, bacteria have developed several mechanisms to combat these therapeutic agents. One of the major resistance mechanisms involves the production… read more here.
Keywords: lactamase; class lactamases; resistance; lactamase inhibitory ... See more keywords