Covalent inhibitors design and discovery

S De Cesco, J Kurian, C Dufresne… - European Journal of …, 2017 - Elsevier
In the history of therapeutics, covalent drugs occupy a very distinct category. While
representing a significant fraction of the drugs on the market, very few have been …

Decoupling of catalysis and transition state analog binding from mutations throughout a phosphatase revealed by high-throughput enzymology

CJ Markin, DA Mokhtari, S Du… - Proceedings of the …, 2023 - National Acad Sciences
Using high-throughput microfluidic enzyme kinetics (HT-MEK), we measured over 9,000
inhibition curves detailing impacts of 1,004 single-site mutations throughout the alkaline …

Introducing protein crystallization in hydrated deep eutectic solvents

BD Belviso, FM Perna, B Carrozzini… - ACS Sustainable …, 2021 - ACS Publications
Supramolecular structure and properties of deep eutectic solvents (DESs) are known to be
highly affected by the addition of water, and their use as solvents for poorly water-soluble …

Understanding the Structure–Function Relationship of Lysozyme Resistance in Staphylococcus aureus by Peptidoglycan O-Acetylation Using Molecular Docking …

AC Pushkaran, N Nataraj, N Nair, F Götz… - Journal of chemical …, 2015 - ACS Publications
Lysozyme is an important component of the host innate defense system. It cleaves the β-1, 4
glycosidic bonds between N-acetylmuramic acid and N-acetylglucosamine of bacterial …

Glycosyltransferase inhibitors: a promising strategy to pave a path from laboratory to therapy

PA Videira, F Marcelo, RK Grewal - 2017 - books.rsc.org
Abnormal glycosylation is a common feature in disease that typically results from
misregulation in expression and/or activity of glycosyltransferases (GTs) and glycosidases …

Protein–ligand dissociation simulated by parallel cascade selection molecular dynamics

DP Tran, K Takemura, K Kuwata… - Journal of chemical theory …, 2018 - ACS Publications
We investigated the dissociation process of tri-N-acetyl-d-glucosamine from hen egg white
lysozyme using parallel cascade selection molecular dynamics (PaCS-MD), which …

Modular endolysin of Burkholderia AP3 phage has the largest lysozyme-like catalytic subunit discovered to date and no catalytic aspartate residue

B Maciejewska, K Źrubek, A Espaillat, M Wiśniewska… - Scientific reports, 2017 - nature.com
Endolysins are peptidoglycan-degrading enzymes utilized by bacteriophages to release the
progeny from bacterial cells. The lytic properties of phage endolysins make them potential …

[PDF][PDF] Monomodular Pseudomonas aeruginosa phage JG004 lysozyme (Pae87) contains a bacterial surface-active antimicrobial peptide-like region and a possible …

R Vázquez, M Seoane-Blanco… - … Section D: Structural …, 2022 - journals.iucr.org
Phage lysins are a source of novel antimicrobials to tackle the bacterial antibiotic-resistance
crisis. The engineering of phage lysins is being explored as a game-changing technological …

[PDF][PDF] Recent structural insights into the mechanism of lysozyme hydrolysis

I Tanaka, R Nishinomiya, R Goto… - … Section D: Structural …, 2021 - journals.iucr.org
Lysozyme hydrolyzes the glycosidic bonds between N-acetylmuramic acid and N-
acetylglucosamine in peptidoglycans located in the bacterial cell wall. The mechanism of the …

Structural insights into peptidoglycan glycosidase EtgA binding to the inner rod protein EscI of the type III secretion system via a designed EscI‐EtgA fusion protein

J Boorman, X Zeng, J Lin, F van den Akker - Protein Science, 2024 - Wiley Online Library
Bacteria express lytic enzymes such as glycosidases, which have potentially self‐destructive
peptidoglycan (PG)‐degrading activity and, therefore, require careful regulation in bacteria …