A computational odyssey: uncovering classical β-lactamase inhibitors in dry fruits

A Javid, M Ahmed - Journal of Biomolecular Structure and …, 2024 - Taylor & Francis
In the antibacterial arsenal, β-lactams have held a prominent position, but increasing
resistance due to unauthorized use and genetic factors requires new strategies. Combining …

In vitro and computational studies of the β-lactamase inhibition and β-lactam potentiating properties of plant secondary metabolites

B Kongkham, A Yadav, MD Ojha… - Journal of …, 2023 - Taylor & Francis
Abstract β-lactam resistance in bacteria is primarily mediated through the production of β-
lactamases. Among the several strategies explored to mitigate the issue of β-lactam …

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 …

Identification of phytochemicals with inhibitory potential against beta-lactamase enzymes via computer aided approach

GC Nwokebu, AB Adesina, CN Isibor, SA Aigbepue… - Bioorganic …, 2024 - Elsevier
Introduction Antibacterial drugs have been widely used for the past century to treat diseases,
but their efficacy has been limited by multi-resistant pathogens, particularly those that utilize …

In-silico screening of Acacia pennata and Bridelia retusa reveals pinocembrin-7-O-β-D-glucopyranoside as a promising β-lactamase inhibitor to combat antibiotic …

AK Umar, D Roy, M Abdalla, Y Modafer… - Journal of …, 2023 - Taylor & Francis
The β-lactamase of Pseudomonas aeruginosa is known to degrade β-lactam antibiotics
such as penicillins, cephalosporins, monobactams, and carbapenems. With the discovery of …

Identification of Potential Inhibitors for Beta-Lactamase in Methicillin-Resistant Staphylococcus aureus from Flavonoids Using a Computational Drug Discovery …

A Abdollahian, M Hazhirkamal, M Taheri… - Letters in Drug …, 2023 - ingentaconnect.com
Background: Staphylococcus aureus (S. aureus) is a Gram-positive bacterium causing a
wide range of human infections, leading to life-threatening invasive disorders …

[HTML][HTML] Identification of natural inhibitor against L1 β-lactamase present in Stenotrophomonas maltophilia

D Jade, MA Harrison, S Sugumar - Journal of Molecular Modeling, 2022 - Springer
Antibiotic resistance is threatening the medical industry in treating microbial infections. Many
organisms are acquiring antibiotic resistance because of the continuous use of the same …

Identification of potential inhibitor against CTX-M-3 and CTX-M-15 proteins: an in silico and in vitro study

B Kar, CN Kundu, MK Singh, B Dehury… - Journal of …, 2024 - Taylor & Francis
Extended-spectrum beta-lactamase (ESBL) producing Enterobacteriaceae infection is a
serious global threat. ESBLs target 3rd generation cephalosporin antibiotics, the most …

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 …

Discovery of phyto-compounds as novel inhibitors against NDM-1 and VIM-1 protein through virtual screening and molecular modelling

B Kar, CN Kundu, S Pati… - Journal of Biomolecular …, 2023 - Taylor & Francis
Amid the rise of multi-drug resistance among bacterial pathogens, the drying of the
development pipeline of new antibiotics is worrisome. In search of new effective alternatives …