Conserved Arg451 residue is critical for maintaining the stability and activity of thioredoxin glutathione reductase

Kalita, Parismita; Shukla, Harish; Das, Kanhu Charan; Tripathi, Timir

doi:10.1016/j.abb.2019.108098

Cited by 4 publications

(1 citation statement)

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“…After energy minimization the system was equilibrated at 1 ns of NVT (constant number of particles, volume and temperature) and NPT (constant number of particles, pressure and temperature) and the system was run for 150 ns. The g_rms, g_rmsf and g_hbonds were used to calculate the root mean square deviation(RMSD), root mean square fluctuation (RMSF) and number of hydrogen bonds respectively [ 33 , 34 ]. MMPBSA was performed for last 10 ns in g_mmpbsa tool [ 35 ].…”

Section: Methodsmentioning

confidence: 99%

Fasciola gigantica vaccine construct: an in silico approach towards identification and design of a multi-epitope subunit vaccine using calcium binding EF-hand proteins

2023

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Continuous attempts have been made to pinpoint candidate vaccine molecules and evaluate their effectiveness in order to commercialise such vaccines for the treatment of tropical fascioliasis in livestock. The pathophysiology of fascioliasis can be related to liver damage brought on by immature flukes that migrate and feed, as well as immunological reactions to chemicals produced by the parasites and alarm signals brought on by tissue damage. Future research should, in our opinion, concentrate on the biology of invasive parasites and the resulting immune responses, particularly in the early stages of infection. The goal of the current study was to use the calcium-binding proteins from F. gigantica to create a multi-epitope subunit vaccine. The adjuvant, B-cell epitopes, CTL epitopes, and HTL epitopes that make up the vaccine construct are all connected by certain linkers. The antigenicity, allergenicity, and physiochemical properties of the vaccine construct were examined. The vaccine construct was docked with toll-like receptor 2, and simulations of the molecular dynamics of the complex's stability, interaction, and dynamics were run. After performing in silico cloning and immunosimulation, it was discovered that the construct was suitable for further investigation. New vaccination technologies and adjuvant development are advancing our food safety procedures since vaccines are seen as safe and are accepted by the user community. This research is also applicable to the F. hepatica system.

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Section: Methodsmentioning

confidence: 99%