Table 2 Docking score with MAOB protein, docking score and molecular weight of the top four selected Compounds
Zinc ID | Pubchem CID | Compound name | Molecular formula | Molecular weight | Docking score |
|---|---|---|---|---|---|
ZINC12143050 | 16,675,888 | SR-01000371409 | C22H26N6O | 390.5 | − 11.7 |
ZINC08301324 | 4,603,576 | N-(4-hydroxy-3-methylphenyl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide | C18H17N3O4S | 371.4 | − 11.4 |
ZINC16743012 | 27,309,733 | [(2S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate | C20H19NO5 | 353.4 | − 11.2 |
ZINC64165826 | PubChem CID | 9,886,917 | C22H22N2O5 | 394.427 | − 11.1 |