Sortase A: an ideal target for anti-virulence drug development

S Cascioferro, M Totsika, D Schillaci - Microbial pathogenesis, 2014 - Elsevier
Sortase A is a membrane enzyme responsible for the anchoring of surface-exposed proteins
to the cell wall envelope of Gram-positive bacteria. As a well-studied member of the sortase …

Sortase transpeptidases: structural biology and catalytic mechanism

AW Jacobitz, MD Kattke, J Wereszczynski… - Advances in protein …, 2017 - Elsevier
Gram-positive bacteria use sortase cysteine transpeptidase enzymes to covalently attach
proteins to their cell wall and to assemble pili. In pathogenic bacteria sortases are potential …

Convergence in the QM‐only and QM/MM modeling of enzymatic reactions: A case study for acetylene hydratase

RZ Liao, W Thiel - Journal of computational chemistry, 2013 - Wiley Online Library
We report systematic quantum mechanics‐only (QM‐only) and QM/molecular mechanics
(MM) calculations on an enzyme‐catalyzed reaction to assess the convergence behavior of …

Molecular features of the sortase enzyme family

WJ Bradshaw, AH Davies, CJ Chambers… - The FEBS …, 2015 - Wiley Online Library
Bacteria possess complex and varying cell walls with many surface exposed proteins.
Sortases are responsible for the covalent attachment of specific proteins to the …

Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition

DA Johnson, IM Piper, BA Vogel, SN Jackson… - Journal of Biological …, 2022 - ASBMB
The cell wall is a critical extracellular barrier for bacteria and many other organisms. In
bacteria, this structural layer consists of peptidoglycan, which maintains cell shape and …

Mechanisms of proteolytic enzymes and their inhibition in QM/MM studies

B Elsässer, P Goettig - International Journal of Molecular Sciences, 2021 - mdpi.com
Experimental evidence for enzymatic mechanisms is often scarce, and in many cases
inadvertently biased by the employed methods. Thus, apparently contradictory model …

Sortagging: a robust and efficient chemoenzymatic ligation strategy

M Ritzefeld - Chemistry–A European Journal, 2014 - Wiley Online Library
Bioorthogonal, chemoselective ligation methods are an essential part of the tools utilized to
investigate biochemical pathways. Specifically enzymatic approaches are valuable methods …

Erianin against Staphylococcus aureus Infection via Inhibiting Sortase A

P Ouyang, X He, ZW Yuan, ZQ Yin, H Fu, J Lin, C He… - Toxins, 2018 - mdpi.com
With continuous emergence and widespread of multidrug-resistant Staphylococcus aureus
infections, common antibiotics have become ineffective in treating these infections in the …

Antiadhesion agents against Gram-positive pathogens

S Cascioferro, MG Cusimano, D Schillaci - Future microbiology, 2014 - Taylor & Francis
ABSTRACT A fundamental step of Gram-positive pathogenesis is the bacterial adhesion to
the host tissue involving interaction between bacterial surface molecules and host ligands …

Discovery of Staphylococcus aureus Sortase A Inhibitors Using Virtual Screening and the Relaxed Complex Scheme

AH Chan, J Wereszczynski, BR Amer… - Chemical biology & …, 2013 - Wiley Online Library
Staphylococcus aureus is the leading cause of hospital‐acquired infections in the U nited S
tates. The emergence of multidrug‐resistant strains of S. aureus has created an urgent need …