Understanding the Structure-Function Relationship of Lysozyme Resistance in Staphylococcus aureus by Peptidoglycan O-Acetylation Using Molecular Docking, Dynamics, and Lysis Assay

Journal of Chemical Information and Modeling
Anju C PushkaranC Gopi Mohan

Abstract

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 peptidoglycan and induce bacterial lysis. Staphylococcus aureus (S. aureus), an opportunistic commensal pathogen, is highly resistant to lysozyme, because of the O-acetylation of peptidoglycan by O-acetyl transferase (oatA). To understand the structure-function relationship of lysozyme resistance in S. aureus by peptidoglycan O-acetylation, we adapted an integrated approach to (i) understand the effect of lysozyme on the growth of S. aureus parental and the oatA mutant strain, (ii) study the lysozyme induced lysis of exponentially grown and stationary phase of both the S. aureus parental and oatA mutant strain, (iii) investigate the dynamic interaction mechanism between normal (de-O-acetylated) and O-acetylated peptidoglycan substrate in complex with lysozyme using molecular docking and molecular dynamics simulations, and (iv) quantify lysozyme resistance of S. aureus parental and the oatA mutant in different human biological fluids. The results indicated for the first time that the active site cleft of lysozyme binding with O-acetylated peptidoglycan in S....Continue Reading

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Citations

Apr 12, 2016·Frontiers in Microbiology·Tomasz M KarpińskiAndrzej Szkaradkiewicz
Jul 6, 2018·PLoS Pathogens·Stephanie A RaglandAlison K Criss
Oct 21, 2016·The Biochemical Journal·Sukhithasri VijayrajratnamChethampadi Gopi Mohan
Jul 5, 2017·The Biochemical Journal·Sukhithasri VijayrajratnamChethampadi Gopi Mohan
Sep 22, 2017·PLoS Pathogens·Stephanie A Ragland, Alison K Criss
Jun 5, 2020·FEMS Microbiology Reviews·Beatriz MartínezMarie-Pierre Chapot-Chartier
Oct 18, 2018·Frontiers in Microbiology·David SychanthaAnthony J Clarke
Sep 21, 2018·Frontiers in Microbiology·Akhilesh K YadavFelipe Cava
May 3, 2019·Scientific Reports·Anju Choorakottayil PushkaranChethampadi Gopi Mohan
Jul 7, 2020·Journal of Chemical Theory and Computation·Rakesh VaiwalaK Ganapathy Ayappa
Jul 20, 2019·Microbiology Spectrum·Rita Sobral, Alexander Tomasz
Sep 5, 2021·Proceedings of the National Academy of Sciences of the United States of America·Carys S JonesAnthony J Clarke

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Bacterial cell walls are made of peptidoglycan (also called murein), which is made from polysaccharide chains cross-linked by unusual peptides containing D-amino acids. Here is the latest research on bacterial cell wall structures.

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