Abstract

CHEMICAL-QUANTUM ANALYSIS OF THE INTERACTIONS OF REMDESIVIR VS. SARS-COV-2 (COVID-19) PROTEINS

*Manuel González-Pérez, Ruben Abiud Villafuerte-Salcedo, Moisés Briteño-Vázquez, Eva Luz González-Martínez, Donovan Gonzalez-Martinez and Rubén Villafuerte-Díaz

Abstract

Coronavirus disease 2019 (COVID-19) is a rapidly expanding global pandemic. This disease is caused by severe acute respiratory syndrome coronavirus 2 (sars-cov-2). This work's objective was to calculate the interactions between the sars-cov-2 and Remdesivir (RDV) proteins to determine their effectiveness. It uses hyperchem software for all calculus. The fundaments were the Electron Transfer Coefficient (ETC) theory, and the result shows the depth range of the quantum well (18 to 52) equal to 34 units. The first quartile contains 22 interactions: antioxidant 1, oxidant 21. The first quartile contains the most robust and most likely interactions. It is concluded that RDV is an excellent oxidant for all amino acids (AAs) of the sars-cov-2 proteins. Nevertheless, it will have adverse side reactions.

Keywords: SARS-COV-2, COVID-19, Remdesivir, Quantum-Chemistry, Electron Transfer Coefficient, SE-PM3.