Uncovering the folding mechanism of pertactin: A comparative study of isolated and vectorial folding
In this study, we used molecular dynamics simulations and enhanced sampling methods to investigate the stability and folding of the passenger domain of pertactin, an autotransporter from Bordetella pertussis. Specifically, we employed steered molecular dynamics to simulate the unfolding of the entire passenger domain as well as self-learning adaptive umbrella sampling to compare the energetics of folding rungs of the β-helix independently ("isolated folding") versus folding rungs on top of a previously folded rung ("vectorial folding"). Our results showed that vectorial folding is highly favorable as compared to isolated ...
Source: Biophysical Journal - March 24, 2023 Category: Physics Authors: Yui Tik Pang Anthony J Hazel James C Gumbart Source Type: research
Uncovering the folding mechanism of pertactin: A comparative study of isolated and vectorial folding
In this study, we used molecular dynamics simulations and enhanced sampling methods to investigate the stability and folding of the passenger domain of pertactin, an autotransporter from Bordetella pertussis. Specifically, we employed steered molecular dynamics to simulate the unfolding of the entire passenger domain as well as self-learning adaptive umbrella sampling to compare the energetics of folding rungs of the β-helix independently ("isolated folding") versus folding rungs on top of a previously folded rung ("vectorial folding"). Our results showed that vectorial folding is highly favorable as compared to isolated ...
Source: Biophysical Journal - March 24, 2023 Category: Physics Authors: Yui Tik Pang Anthony J Hazel James C Gumbart Source Type: research
Computational Modelling, Functional Characterization and Molecular Docking to Lead Compounds of Bordetella pertussis Diaminopimelate Epimerase
Appl Biochem Biotechnol. 2023 Mar 13. doi: 10.1007/s12010-023-04413-0. Online ahead of print.ABSTRACTBordetella pertussis, the causative agent of whooping cough, is an opportunistic virulent bacterial pathogen that is resistant to a wide range of antibiotics due to a variety of resistance mechanisms. Looking at the increasing number of infections caused by B. pertussis and its resistance to diverse antibiotics, it is essential to develop alternative strategies to fight against B. pertussis. Diaminopimelate epimerase (DapF) is an important enzyme of the lysine biosynthesis pathway in B. pertussis that catalyzes the formatio...
Source: Applied Biochemistry and Biotechnology - March 13, 2023 Category: Biochemistry Authors: Shilpy Singh Afsana Praveen Suruchi M Khanna Source Type: research
Computational Modelling, Functional Characterization and Molecular Docking to Lead Compounds of Bordetella pertussis Diaminopimelate Epimerase
Appl Biochem Biotechnol. 2023 Mar 13. doi: 10.1007/s12010-023-04413-0. Online ahead of print.ABSTRACTBordetella pertussis, the causative agent of whooping cough, is an opportunistic virulent bacterial pathogen that is resistant to a wide range of antibiotics due to a variety of resistance mechanisms. Looking at the increasing number of infections caused by B. pertussis and its resistance to diverse antibiotics, it is essential to develop alternative strategies to fight against B. pertussis. Diaminopimelate epimerase (DapF) is an important enzyme of the lysine biosynthesis pathway in B. pertussis that catalyzes the formatio...
Source: Applied Biochemistry and Biotechnology - March 13, 2023 Category: Biochemistry Authors: Shilpy Singh Afsana Praveen Suruchi M Khanna Source Type: research
Bystander activation of tissue-resident memory CD4 T cells: Getting by with a little help from unfamiliar T cell friends
This article is protected by copyright. All rights reserved.PMID:36898761 | DOI:10.1002/eji.202350413 (Source: European Journal of Immunology)
Source: European Journal of Immunology - March 10, 2023 Category: Allergy & Immunology Authors: Rebecca Cornelis Ziv Shulman Source Type: research
Distinct early cellular kinetics in participants protected against colonization upon Bordetella pertussis challenge
CONCLUSION These early cellular immune responses following experimental infection can now be further characterized and potentially linked to an efficient mucosal immune response, preventing colonization. Ultimately, their presence may be used to evaluate whether new B. pertussis vaccine candidates are protective against B. pertussis colonization, e.g., by bacterial challenge after vaccination.TRIAL REGISTRATION ClinicalTrials.gov NCT03751514.FUNDING Innovative Medicines Initiative 2 Joint Undertaking and the EuroFlow Consortium. (Source: Journal of Clinical Investigation)
Source: Journal of Clinical Investigation - March 1, 2023 Category: Biomedical Science Authors: Annieck M. Diks, Hans de Graaf, Cristina Teodosio, Rick J. Groenland, Bas de Mooij, Muktar Ibrahim, Alison R. Hill, Robert C. Read, Jacques J.M. van Dongen, Magdalena A. Berkowska, on behalf of the IMI-2 PERISCOPE Consortium Source Type: research
Modeling the effect of oxidative stress on Bordetella pertussis fermentations
AbstractA mathematical model is proposed forBordetella pertussis with the main goal to better understand and describe the relation between cell growth, oxidative stress and NADPH levels under different oxidative conditions. The model is validated with flask experiments conducted under different conditions of oxidative stress induced by high initial glutamate concentrations, low initial inoculum and secondary culturing following exposure to starvation. The model exhibited good accuracy when calibrated and validated for the different experimental conditions. From comparisons of model predictions to data with different model ...
Source: Biotechnology Progress - February 28, 2023 Category: Biotechnology Authors: Michael Vitelli,
Ibrahim Melih Tamer,
Mark Pritzker,
Hector Budman Tags: RESEARCH ARTICLE Source Type: research
Pertussis epidemiology in Canada, 2005-2019
CONCLUSION: The highest morbidity and fatality of pertussis were among infants under one year of age. It is important to take measures to reduce transmission to infants who are too young to be vaccinated. Increasing vaccine coverage in children and pregnant women are important to reduce the burden of disease.PMID:36815868 | PMC:PMC9902035 | DOI:10.14745/ccdr.v49i01a05 (Source: Can Commun Dis Rep)
Source: Can Commun Dis Rep - February 23, 2023 Category: Infectious Diseases Authors: Disha Bhagat Myriam Saboui Grace Huang Francesca Reyes Domingo Susan G Squires Marina I Salvadori Y Anita Li Source Type: research
Pertussis epidemiology in Canada, 2005-2019
CONCLUSION: The highest morbidity and fatality of pertussis were among infants under one year of age. It is important to take measures to reduce transmission to infants who are too young to be vaccinated. Increasing vaccine coverage in children and pregnant women are important to reduce the burden of disease.PMID:36815868 | PMC:PMC9902035 | DOI:10.14745/ccdr.v49i01a05 (Source: Can Commun Dis Rep)
Source: Can Commun Dis Rep - February 23, 2023 Category: Infectious Diseases Authors: Disha Bhagat Myriam Saboui Grace Huang Francesca Reyes Domingo Susan G Squires Marina I Salvadori Y Anita Li Source Type: research
