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1- student of Ferdowsi university of Mashhad
2- Professor of animal science, Faculty of agriculture, Ferdowsi university of Mashhad., دانشگاه فردوسی مشهد، دانشکده کشاورزی، گروه علوم دامی , tahmoorespur@yahoo.com
Abstract:   (468 Views)
In 2019, a new strain of coronavirus spread around the world, and so far no vaccine has been developed that can provide complete immunity. Covid19 spike protein is important pathogens. The aim of the present study was to investigate the effect of engineered camel lactoferrin peptide called clfA- against the RBD domain Covid19 spike protein. Molecular docking of clfA- peptide with spike protein was performed on the ClusPro2.0 online tools. In order to investigate their interaction behavior at different times, the molecular dynamics simulation was performed in GROMACS2016.4 software for 50 ns under the GROMOS54a7 force field. The results showed that the clfA-peptide was strongly attached to the target region and the hydrogen bonds were increasing to the end of the simulation and the structure of the spike protein was unstable. By the unfolding and increasing the Solvent Accessible Surface, it became clear that the protein had become more flexible and unstable due to the interaction with clfA-peptide. The results of this study showed that clfA-peptide was able to reduce or eliminate the functional properties of this protein. So it can be a good candidate to inhibit the RBD domain of corona viruse
Article Type: Original Research | Subject: Bioinformatics
Received: 2021/03/30 | Accepted: 2021/06/29

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