Table 7 Docking scores and MMGBSA energy values for the top scoring compounds against seven novel candidate Alz-associated genes
Candidate Alzheimer target | Docked compound | Glide score (kcal/mol) | ΔG (binding) (kcal/mol) |
|---|---|---|---|
Cadherin 1 | AL-108 | –8.34 | –58.92 |
Caspase recruitment domain family, member 8 | AL-108 | –6.90 | –36.50 |
Janus kinase 2 | AL-108 | –10.87 | –74.34 |
Nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha | PPI-1019 | –6.41 | –13.66 |
Retinoblastoma 1 | AL-108 | –7.07 | –12.09 |
Ras homolog family member A | AL-108 | –8.68 | –49.84 |
Receptor-interacting serine-threonine kinase 3 | AL-108 | –8.99 | –77.07 |