Open AccessCould boron compounds be effective against SARS-CoV-2?
Author(s) -
Hilmi Ataseven,
Koray Sayın,
Burak Tüzün,
Mustafa Asım Gedikli
Publication year - 2021
Publication title -
bratislavské lekárske listy/bratislava medical journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.387
H-Index - 32
eISSN - 1336-0345
pISSN - 0006-9248
DOI - 10.4149/bll_2021_121
Subject(s) - boron , in silico , chemistry , electrophile , covid-19 , nucleophile , human immunodeficiency virus (hiv) , drug candidate , combinatorial chemistry , stereochemistry , computational chemistry , organic chemistry , biochemistry , virology , biology , medicine , catalysis , disease , infectious disease (medical specialty) , pathology , in vitro , gene
Seven dioxaborole compounds are investigated in this study. Structural and spectral characterization is done at M062X/6-31+G(d,p) level in the water. Active sites of these compounds are determined using molecular electrostatic potential (MEP) maps. Electrophilic and nucleophilic attack regions are determined.