Table 1 Single monomer docking: Screening of silane monomers with SARS-CoV-2 specific peptide/epitope.
Monomer | Mean Binding Energy (kcal/mol) |
|---|---|
Phenyltriethoxysilane (PTES) | -3.31 |
Diisobutyldimethoxysilane (DIDMS) | -2.93 |
Isobutyltriethoxysilane (IBTES) | -2.68 |
3-(methyltrimethoxysilane) (MTMS) | -2.65 |
(2-cyanoethyl)triethoxysilane (CETES) | -2.55 |
Tetraethylorthosilicate (TEOS) | -2.45 |
Ureidopropyltrimethoxysilane (UPTMS) | -2.39 |
Trimethoxy(octyl)silane (TMOS) | -2.26 |
3-Aminopropyltriethoxysilane (APTES) | -2.05 |
3-Aminopropyltrimethoxysilane (APTMS) | -1.95 |
(3-Mercaptopropyl)trimethoxysilane(MPTMS) | -1.95 |
