Table 4.
Chemical structures, physicochemical properties, and energy docking scores (kcal/mol) of the main proposed Rhus spp. (sumac) compounds for COVID-19 treatment.
| Compound | Name | Hydrogen bond energy (kcal/mol) | Drug-likeness properties | |||
|---|---|---|---|---|---|---|
| Drug likeness | Water solubility | Bio. score | Synthetic accessibility score | |||
| 1 | Methyl 3,4,5-trihydroxybenzoate | −22.6 | Yes | Very soluble | 0.56 | 1.5 |
| 12 | Z)-1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-hydroxyprop-2-en-1-one | −21.83 | Yes | Moderately soluble | 0.55 | 2.78 |
| 13 | (Z)-2-(3,4-Dihydroxybenzylidene)-6-hydroxybenzofuran-3(2H)-one | −14.31 | Yes | Moderately soluble | 0.55 | 2.89 |
| 22 | 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chroman-4-one | −13.34 | Yes | Soluble | 0.55 | 3.42 |
| 23 | 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H- chroman-4-one | −15.57 | Yes | Soluble | 0.55 | 3.30 |
| 26 | 3,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one | −17.21 | Yes | Soluble | 0.56 | 3.36 |