Cheminformatics identification of phenolics as modulators of penicillin-binding protein-3 of Pseudomonas aeruginosa towards interventive antibacterial therapy

JO Aribisala, S Sabiu - Journal of Biomolecular Structure and …, 2024 - Taylor & Francis
Antibacterial resistance to β-lactams in microorganisms has been attributed majorly to
alterations in penicillin-binding proteins (PBPs) coupled with β-lactams' inactivation by β …

Cheminformatics identification of phenolics as modulators of key penicillin−binding proteins of Escherichia coli towards interventive antibacterial therapy

JO Aribisala, K Idowu, TR Makhanya… - Molecular Simulation, 2023 - Taylor & Francis
Data implicating the mutation in penicillin-binding protein (PBP) 3 and occasionally PBP5 in
the resistance of Escherichia coli to beta− lactams is intriguing. Thus, the identification of an …

In silico exploration of phenolics as modulators of penicillin binding protein (PBP) 2× of Streptococcus pneumoniae

JO Aribisala, NW S'thebe, S Sabiu - Scientific Reports, 2024 - nature.com
Infections caused by multidrug-resistant Streptococcus pneumoniae remain the leading
cause of pneumonia-related deaths in children< 5 years globally, and mutations in penicillin …

[HTML][HTML] Cheminformatics Identification of Phenolics as Modulators of Penicillin-Binding Protein 2a of Staphylococcus aureus: A Structure–Activity-Relationship-Based …

JO Aribisala, S Sabiu - Pharmaceutics, 2022 - mdpi.com
The acquisition of penicillin-binding protein (PBP) 2a in resistant strains of Staphylococcus
aureus allows for the continuous production of cell walls even after the inactivation of …

Molecular docking and simulation studies of flavonoid compounds against PBP-2a of methicillin‐resistant Staphylococcus aureus

AK Verma, SF Ahmed, MS Hossain… - Journal of …, 2022 - Taylor & Francis
Abstract Methicillin-Resistant Staphylococcus aureus (MRSA), a pathogenic bacterium that
causes life-threatening outbreaks such as community-onset and nosocomial infections as …

In Silico Method for the Screening of Phytochemicals against Methicillin‐Resistant Staphylococcus Aureus

R Tabassum, S Kousar, G Mustafa… - BioMed Research …, 2023 - Wiley Online Library
Methicillin‐resistant Staphylococcus aureus (MRSA) has evolved resistance even against
the last resort β‐lactam antibiotics. This is because of the acquisition of an additional …

Investigation into the Interaction between Penicillin‐Resistant and Penicillin‐Susceptible Gonococcal Penicillin‐Binding Protein 2 and Target Phenolic Ligands …

S Yakobi, L Zuma, O Pooe - Advances in Pharmacological and …, 2024 - Wiley Online Library
Gonococcal infections present a notable public health issue, and the major approach for
treatment involves using β‐lactam antibiotics that specifically target penicillin‐binding …

Molecular Docking and Antibacterial Assessment of Monocyclic β‐Lactams against Broad‐Spectrum and Nosocomial Multidrug‐Resistant Pathogens

E Riazimontazer, R Heiran, A Jarrahpour… - …, 2022 - Wiley Online Library
Abstract β‐Lactam antibiotics are critical antibacterial agents and have rapidly become
active ingredients in modern medicine. On the other hand, in the face of increasing rate of …

A chemoinformatic-biophysics based approach to identify novel anti-virulent compounds against Pseudomonas aeruginosa disulfide-bond protein A1

AI Al-Harbi, A Ullah, TN Almanaa, F Gul… - Journal of …, 2023 - Taylor & Francis
The conventional course of drug discovery is a lengthy, expensive and complex process and
often experiences a high failure rate. This in-silico based study screened novel drug …

Molecular docking and molecular dynamics studies on β-lactamases and penicillin binding proteins

KM Kumar, A Anbarasu, S Ramaiah - Molecular BioSystems, 2014 - pubs.rsc.org
Bacterial resistance to β-lactam antibiotics poses a serious threat to human health. Penicillin
binding proteins (PBPs) and β-lactamases are involved in both antibacterial activity and …