https://doi.org/10.1140/epjp/s13360-022-03192-7
Regular Article
Investigation of the effect of external force and initial pressure on the stability of cancer cells using molecular dynamics simulation
1
Department of Biomedical Engineering, Khomeinishahr Branch, Islamic Azad University, Khomeinishahr, Iran
2
Department of Mechanical Engineering, Khomeinishahr Branch, Islamic Azad University, Khomeinishahr, Iran
b
Seifzadeh@iaukhsh.ac.ir
c
Toghraee@iaukhsh.ac.ir
Received:
23
February
2022
Accepted:
13
August
2022
Published online:
24
August
2022
Investigation of the behavior of cancer cells and their mechanical and physical characteristics can play an important role in the early diagnosis and treatment of cancer. In this paper, the molecular dynamics method (MDM) investigates cancer cells' atomic behavior and stability under different external forces and initial pressures. To investigate the atomic behavior of the simulated structures, the parameters of gyration radius, interaction energy, and interaction force were studied. The results show that by increasing the external force to 0.05 kcal/mol Å, the radius of gyration increases to 0.49 Å. Also, with the application of external force, interaction energy and force increase to − 533.44 kcal/mol and − 190.06 kcal/mol Å. In addition, increasing the initial pressure up to 5 bar changes the mentioned quantities of the radius of gyration, interaction energy, and interaction force to 68.46 Å, − 535.55 kcal/mol, − 195.44 kcal/mol Å, respectively. Since structures' atomic behavior and stability are important factors in diagnosing any disease, we expect that the MDM performed in this paper will be useful in treating and preventing diseases, including cancer.
Copyright comment Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
© The Author(s), under exclusive licence to Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2022. Springer Nature or its licensor holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
