Abstract
Recently, nanosecond pulsed electric field (nsPEF) has been considered as a new tool for tumor therapy, but its molecular mechanism of function remains to be fully elucidated. Here, we explored the cellular processes of Jurkat cells exposed to nanosecond pulsed electric field. Differentially expressed genes (DEGs) were acquired from the GEO2R, followed by analysis with a series of bioinformatics tools. Subsequently, 3D protein models of hub genes were modeled by Modeller 9.21 and Rosetta 3.9. Then, a 100 ns molecular dynamics simulation for each hub protein was performed with GROMACS 2018.2. Finally, three kinds of nsPEF voltages (0.01, 0.05, and 0.5 mV/mm) were used to simulate the molecular dynamics of hub proteins for 100 ns. A total of 1769 DEGs and eight hub genes were obtained. Molecular dynamic analysis, including root mean square deviation (RMSD), root mean square fluctuation (RMSF), and the Rg, demonstrated that the 3D structure of hub proteins was built, and the structural characteristics of hub proteins under different nsPEFs were acquired. In conclusion, we explored the effect of nsPEF on Jurkat cell signaling pathway from the perspective of molecular informatics, which will be helpful in understanding the complex effects of nsPEF on acute T-cell leukemia Jurkat cells.
Highlights
Leukemia is a malignant cancer of blood cells that usually starts in the bone marrow and results in excessive numbers of aberrant blood cells
We used a series of bioinformatics and molecular dynamic methods to investigate the effects of nanosecond pulsed electric field (nsPEF) on a kind of acute T-cell leukemia cell strain-Jurkat, especially its signal pathway
With the help of bioinformatics and molecular dynamics, we explored the signal pathways of Jurkat cells in response to nsPEF-like physical stimuli
Summary
Leukemia is a malignant cancer of blood cells that usually starts in the bone marrow and results in excessive numbers of aberrant blood cells. Due to the lack of normal blood cells, leukemia patients often have symptoms including fever, feeling tired, bleeding and bruising, and are prone to infections. The incidence of leukemia in the world is gradually increasing, which seriously affects the labor force and imposes a heavy burden on medical care in various countries [1]. In 2019, there will be 61,780 new leukemia patients in the United States. Leukemia is the most common type of cancer for teenagers before the age of 14, and approximately 92% of leukemia patients are diagnosed before the age of 20 [2]. The treatment of leukemia is one of the key issues that needs to be solved urgently in the medical field
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