Mapping the determinants of catalysis and substrate specificity of the antibiotic resistance enzyme CTX-M β-lactamase

A Judge, L Hu, B Sankaran, J Van Riper… - Communications …, 2023 - nature.com
CTX-M β-lactamases are prevalent antibiotic resistance enzymes and are notable for their
ability to rapidly hydrolyze the extended-spectrum cephalosporin, cefotaxime. We …

Drug Discovery in the Field of β-Lactams: An Academic Perspective

LMC Jacobs, P Consol, Y Chen - Antibiotics, 2024 - mdpi.com
β-Lactams are the most widely prescribed class of antibiotics that inhibit penicillin-binding
proteins (PBPs), particularly transpeptidases that function in peptidoglycan synthesis. A …

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 …

Enzymolysis Modes Trigger Diversity in Inhibitor‐α‐Amylase Aggregating Behaviors and Activity Inhibition: A New Insight Into Enzyme Inhibition

J Cao, J Zhang, R Cao, B Zhang, M Miao… - Advanced …, 2024 - Wiley Online Library
Inhibitors of α‐amylase have been developed to regulate postprandial blood glucose
fluctuation. The enzyme inhibition arises from direct or indirect inhibitor‐enzyme interactions …

Friends and relatives: insight into conformational regulation from orthologues and evolutionary lineages using KIF and KIN

D Yehorova, RM Crean, PM Kasson… - Faraday …, 2024 - pubs.rsc.org
Noncovalent interaction networks provide a powerful means to represent and analyze
protein structure. Such networks can represent both static structures and dynamic …

Functionally Important Residues from Graph Analysis of Coevolved Dynamic couplings

M Xu, SC Dantu, JA Garnett, RA Bonomo, A Pandini… - bioRxiv, 2024 - biorxiv.org
The relationship between protein dynamics and function is essential for understanding
biological processes and developing effective therapeutics. Functional sites within proteins …

Understanding the roles of secondary shell hotspots in protein-protein complexes

P Jayadevan, Y Arangasamy, N Srinivasan… - bioRxiv, 2024 - biorxiv.org
Hotspots are interfacial residues in protein-protein complexes that contribute significantly to
complex stability. Methods for identifying interfacial residues in protein-protein complexes …

[PDF][PDF] Enzymolysis Modes Trigger Diversity in Inhibitor-𝜶-Amylase Aggregating Behaviors and Activity Inhibition: A New Insight Into Enzyme Inhibition

J Cao, J Zhang, R Cao, B Zhang, M Miao, X Liu, L Sun - 2024 - d-nb.info
Enzymolysis Modes Trigger Diversity in Inhibitor‐α‐Amylase
Aggregating Behaviors and Activit Page 1 RESEARCH ARTICLE www.advancedscience.com …

Random Copolymer inverse design system orienting on Accurate discovering of Antimicrobial peptide-mimetic copolymers

T Wu, Y Tang - arXiv preprint arXiv:2212.00023, 2022 - arxiv.org
Antimicrobial resistance is one of the biggest health problem, especially in the current period
of COVID-19 pandemic. Due to the unique membrane-destruction bactericidal mechanism …