Table 8.
Virtual screening of Levilactobacillus brevis derivatives against α-glucosidase and α-amylase.
Sl. No. | Name of the compound | Binding affinity (kcal/mol) | Total no. of non-bonding interactions | Total no. of conventional hydrogen bonds | |||
---|---|---|---|---|---|---|---|
α-glucosidase | α-amylase | α-glucosidase | α-amylase | α-glucosidase | α-amylase | ||
1 | Citric acid | −6.1 | −5.9 | 5 | 3 | 5 | 3 |
2 | Fumaric acid | −6.3 | −5.4 | 5 | 4 | 5 | 4 |
3 | Hydroxycitric acid | −6.4 | −5.9 | 7 | 6 | 7 | 6 |
4 | Lactic acid | −5.5 | −5.1 | 4 | 4 | 4 | 3 |
5 | Maleic acid | −6.3 | −5.0 | 5 | 3 | 5 | 3 |
6 | Malic acid | −6.2 | −5.2 | 3 | 6 | 3 | 6 |
7 | Malonic acid | −5.8 | −5.1 | 3 | 5 | 3 | 5 |
8 | Pyruvic acid | −5.5 | −5.3 | 4 | 2 | 4 | 2 |
9 | Shikimic acid | −5.9 | −5.6 | 6 | 4 | 6 | 4 |
10 | Succinic acid | −6.1 | −4.9 | 5 | 5 | 5 | 5 |
11 | Tartaric acid | −6.0 | −4.3 | 7 | 5 | 7 | 5 |
12 | Acarbose | −5.9 | −5.4 | 7 | 4 | 6 | 4 |