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.

中文翻译：

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Et2Zn 对 SARS-Cov-2 刺突蛋白与细胞膜 ACE2 结合的影响

摘要

冠状病毒与细胞的联系是通过刺突蛋白从细胞膜连接到 ACE2。该连接是使用基于 PW91 和基组 6-31G( d). 此后，评估二乙基锌 (Et2Zn) 对 COVID19 和细胞膜 (C-N) 键的影响表明，键长增加到平均 0.82 Å。这种键长的增加可能是由于部分电荷从具有电正性的 Zn 原子转移到具有电负性的 N 的 σ 轨道原子。此外，表明连接区域键长的增加可以削弱病毒与细胞膜的连接以及将其分离。QST2 计算表明，从热力学和动力学角度执行该过程是适用的。此外，TEM 显微镜对患有 COVID19 和使用 Et2Zn 后的长实验室印度豚鼠的图像明显显示肺部恢复。