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Effect of Et2zn on Binding Spike Protein of Sars-Cov-2 and Ace2 From Cell Membrane Publisher



Karamjavan MM2 ; Sefidan AM3
Authors
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Authors Affiliations
  1. 1. Department of Chemistry, Faculty of Pharmaceutical Chemistry, Tehran Medical Sciences, Islamic Azad University, Tehran, Iran
  2. 2. Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, Iran
  3. 3. Department of Laboratory Sciences, the School of Allied Medical Sciences, Tehran University of Medical Sciences, Tehran, Iran

Source: Russian Journal of Physical Chemistry A Published:2023


Abstract

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 A. 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. © 2023, Pleiades Publishing, Ltd.