Effect of Et2Zn on Binding Spike Protein of SARS-Cov-2 and ACE2 from Cell Membrane

Abstract

Corona virus’s connection to the cell is through spike protein to ACE2 from cell membrane. This connection was modeled using Density Functional Theory (DFT) computational method based on PW91 and basis set 6-31G( d ). Thereafter, the assessment of the effect of diethyl zinc (Et2Zn) on bonds of COVID19 and cell membrane (C–N) showed the increased bond length up to an average of 0.82 Å. This increase in bond length may be due to the transfer of partial charge from the Zn atom with electropositive properties to σ orbital atom of N with an electronegativity property. Moreover, it was shown that an increase in bond length of connection region could weaken virus’s connection to cell membrane as well as separating it. QST2 computations showed that performing the process thermodynamically and kinetically is applicable. In addition, images of TEM microscope on long of Lab Indian guinea pig with COVID19 and after using Et2Zn obviously showed lung recovery.