Insights into the Binding Mode of Lipid A to the Anti-lipopolysaccharide Factor ALFPm3 from <i>Penaeus monodon</i>: An In Silico Study through MD Simulations-Reference-Cited by-同舟云学术

Insights into the Binding Mode of Lipid A to the Anti-lipopolysaccharide Factor ALFPm3 from Penaeus monodon: An In Silico Study through MD Simulations

Published:2023-04-07 Issue:8 Volume:63 Page:2495-2504
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

González-Fernández Cristina¹^ORCID,Öhlknecht Christoph²,Diem Matthias²,Escalona Yerko²,Bringas Eugenio¹^ORCID,Moncalián Gabriel³^ORCID,Oostenbrink Chris²^ORCID,Ortiz Inmaculada¹^ORCID

Affiliation:

1. Departamento de Ingenierías Química y Biomolecular, Universidad de Cantabria, Avda. Los Castros, s/n, 39005 Santander, Spain

2. Institute for Molecular Modeling and Simulation, BOKU-University of Natural Resources and Life Sciences, Muthgasse 18, 1190 Vienna, Austria

3. Departamento de Biología Molecular, Universidad de Cantabria and Instituto de Biomedicina y Biotecnología de Cantabria (IBBTEC), Universidad de Cantabria-CSIC, 39011 Santander, Spain

Funder

Ministerio de Ciencia, Innovaci?n y Universidades

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00173

Reference47 articles.

1. Atomistic Scale Effects of Lipopolysaccharide Modifications on Bacterial Outer Membrane Defenses

2. Lipopolysaccharide (Endotoxin)-host defense antibacterial peptides interactions: Role in bacterial resistance and prevention of sepsis

3. Conformationally Constrained Lipid A Mimetics for Exploration of Structural Basis of TLR4/MD-2 Activation by Lipopolysaccharide

4. Lipopolysaccharide modification in Gram-negative bacteria during chronic infection

5. Function and Biogenesis of Lipopolysaccharides