Table 1.
Top 5 ‘lead hit compounds’ against alpha-amylase and alpha-glucosidase enzymes.
| Enzymes | Compounds |
||||
|---|---|---|---|---|---|
| 1 | 2 | 3 | 4 | 5 | |
| HSA | Buddlenol-A (-7.830) | Bruceolline-B (-7.238) | Kaempferol-3-O-pentoside (-7.195) | Picrasidine-X (-7.185) | 2-hydroxy-canthin-6-one (-7.106) |
| HPA | Citrusine-B (-7.383) | Buddlenol-C (-7.102) | 2-hydroxy-canthin-6-one (-7.044) | Buddlenol-A (-7.009) | Picrasmalignane-A (-6.715) |
| Nt-MGAM | 9-hydroxycanthin-6-one (-6.461) | Picrasinoside-C (-6.25) | Kaempferol-3-O-pentoside (-6.026) | Picrasidine -X (-6.006) | Bruceolline-B (-5.962) |
| Ct-MGAM | Bruceolline-B (-7.576) | Kaempferol-3-O-pentoside (-7.563) | Buddlenol-C (-7.363) | Picrasidine-X (-7.128) | Fisetinidol (-7.116) |
| Nt-SI | Prosopine (-6.499) | Bruceolline-B (-6.206) | Buddlenol-A (-6.015) | Astragalin (-5.965) | Kaempferol-3-O-pentoside (-5.859) |
| Ct-SI | Fisetinidol (-7.575) | Picrasidin-X (-7.545) | Bruceolline-B (-7.536) | Luteolin (-7.528) | Buddlenol-A (-7.461) |
| YAG | Picrasidine-X (-7.592) | Buddlenol-A (-7.568) | Bruceolline-B (-7.514) | Prosopine (-7.481) | Citrusine-B (-7.331) |
∗Note: HSA; human salivary alpha-amylase, HPA; human pancreatic alpha-amylase, Nt-MGAM; N-terminal maltase glucoamylase, Ct-MGAM; C-terminal maltase glucoamylase, Nt-SI; N-terminal sucrase isomaltase, Ct-SI; C-terminal sucrase-isomaltase and YAG; yeast alpha-glucosidase. The binding energy (kcal/mol) for each compound was represented in the brackets.