Could boron compounds be effective against SARS-CoV-2?

Background Seven dioxaborole compounds are investigated in this study. Structural and spectral characterization is done at M062X/6-31+G(d,p) level the water. Active sites of these determined using molecular electrostatic potential (MEP) maps. Electrophilic nucleophilic attack regions determined. Aim We aimed to determine whether Boron-Containing Compounds (BCCs) inhibitor used treatment COVID-19 effective against SARS Cov-2 silico. Results conclusion Since SARS-CoV-2 a worldwide health problem, anti-viral properties studied boron-containing were by docking calculations. In addition calculations, MM/PSBA calculations performed. It was found that boron can be good drug candidate best compound ((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropanamido)-4-guanidinobutyl)boronic acid (C26) (Tab. 2, Fig. 6, Ref. 29). Text PDF www.elis.sk Keywords: boronate ester, dioxaborole, silico, SARS-CoV-2, MD