Repurposing FDA approved drug molecules against ABC classes of β-lactamases: a computational biology and molecular dynamics simulations study
N Farhat, AU Khan - Journal of Biomolecular Structure and …, 2023 - Taylor & Francis
Abstract β-lactamase are the main resistance factor for β-lactam antibiotics in Gram-negative
bacteria. Since β-lactam antibiotics are being utilised as an antimicrobial agents extensively …
bacteria. Since β-lactam antibiotics are being utilised as an antimicrobial agents extensively …
Deeper insights into the action of class C β-lactamases against cephalosporins through molecular docking and MD simulation studies
V Arer, A Anurag Anand, SK Samanta, D Kar - Biologia, 2024 - Springer
Antimicrobial resistance is a global crisis that has been exacerbated by the inappropriate
use of antibiotics. Drug-resistant bacteria are a major menace to public health and treatment …
use of antibiotics. Drug-resistant bacteria are a major menace to public health and treatment …
Development of ligand and structure-based classification models to design novel inhibitors against antibiotic hydrolyzing enzymes: Integration of web server
Danishuddin, A Kumar, F Mobeen… - Journal of Biomolecular …, 2018 - Taylor & Francis
Introduction β-lactam-based antibiotics are the gold standard for treating bacterial infections.
Gram-negative bacteria have now developed resistance against several antibiotics by …
Gram-negative bacteria have now developed resistance against several antibiotics by …
Three new inhibitors of class A β-lactamases evaluated by molecular docking and dynamics simulations methods: relebactam, enmetazobactam, and QPX7728
A Saral Sariyer - Journal of Molecular Modeling, 2022 - Springer
Abstract Antibiotic-resistant Acinetobacter baumannii, Pseudomonas aeruginosa,
Mycobacterium tuberculosis, Staphylococcus aureus, and Enterobacterales infections are …
Mycobacterium tuberculosis, Staphylococcus aureus, and Enterobacterales infections are …
Designing of inhibitors against CTX-M-15 type β-lactamase: potential drug candidate against β-lactamases-producing multi-drug-resistant bacteria
CTX-M-15 are the most prevalent types of β-lactamases that hydrolyze almost all antibiotics
of β-lactam group lead to multiple-antibiotic resistance in bacteria. Three β-lactam inhibitors …
of β-lactam group lead to multiple-antibiotic resistance in bacteria. Three β-lactam inhibitors …
Inhibitor and substrate binding by New Delhi metallo-beta-lactamase-1: a molecular dynamics studies
YT Wang, CY Lu, TC Hour… - Current computer-aided …, 2014 - ingentaconnect.com
The control of beta-lactam antibiotics released through the inhibition of the New Delhi
metallo-beta-lactamase 1 (NDM-1) has been identified as a potential target for the treatment …
metallo-beta-lactamase 1 (NDM-1) has been identified as a potential target for the treatment …
Chemically synthesised flavone and coumarin based isoxazole derivatives as broad spectrum inhibitors of serine β-lactamases and metallo-β-lactamases: a …
The β-lactam antibiotics are the most effective medicines for treating bacterial infections.
Resistance to them, particularly through the production of β-lactamases, which can …
Resistance to them, particularly through the production of β-lactamases, which can …
Structure-based screening of non-β-lactam inhibitors against class D β-lactamases: an approach of docking and molecular dynamics
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 …
they can hydrolyze carbapenem antibiotics. Hence, it is exceptionally alluring to design …
Insight into the screening of potential beta-lactamase inhibitors as anti-bacterial chemical agents through pharmacoinformatics study
P Parida, S Bhowmick, A Saha… - Journal of Biomolecular …, 2021 - Taylor & Francis
Drug resistance is an unsolved and major concern in the bacterial infection. Continuous
development of drug-resistance to the antibiotics exponentially rises the danger of bacterial …
development of drug-resistance to the antibiotics exponentially rises the danger of bacterial …
Targeting a hidden site on class A beta-lactamases
Increasing resistance against available orthosteric beta-lactamase inhibitors necessitates
the search for novel and powerful inhibitor molecules. In this respect, allosteric inhibitors …
the search for novel and powerful inhibitor molecules. In this respect, allosteric inhibitors …