Investigation the change in the atomic stability of 3DN5 and 5OTF (cancer cells and microvascular cells) structures by increasing initial pressure: A molecular dynamics approach

Early cancer detection is the most effective procedure to avoid and treat cancer cells. For this purpose, atomic behaviors (mechanical and physical) are examined to diagnose and understand cancer cells. This study predicts the stability of cancer cells at different initial pressures (IP) utilizing the molecular dynamics (MD) simulation. Based on the result, in the aqueous environment, the stability of the cancer cell sample has not changed over time, and this structure is stable, which is not considered appropriate from a medical point of view. Also, due to the constant volume in the cancer cell sample, the amount of fluid diffusion defined in the structure of this cell remains constant. On the other hand, expanding the IP from 1 bar to 5 bar decreases the intensity of the peaks in the radial distribution decreases. Expanding the IP to 5 bar, the cancer cell volume increases from 307836 to 319901 angstrom 3. Also, by expanding the IP from 1 to 5 bar, the area between the cancer cell OTF5 increases, and as a result, the diffusion coefficient increase. Numerically, the diffusion coefficient increases from 1.54 to 1.62 x 106 cm2/s. Therefore, it can be concluded that increasing the initial pressure will increase the velocity of recovery in cancer.

Automated summary

Early detection of cancer is crucial, and this study investigates the atomic behaviors of cancer cells to better understand and diagnose them. By conducting molecular dynamics simulations, the stability of cancer cells at different initial pressures is predicted. The results suggest that increasing the initial pressure can enhance the recovery velocity of cancer cells.