Research Article
In Vitro and In Silico Analysis of Bergenia ciliata and Mimosa pudica for Inhibition of α-Amylase
Table 5
Physiochemical and drug-likeness properties of compounds.
| Compounds | Molecular weight g/mol | Hydrogen bond acceptors (HBA) | Hydrogen bond donors (HBD) | logP | Molar refractivity | Drug-likeness |
| Gallic acid | 170.12 | 5 | 4 | 0.21 | 39.47 | Yes; 0 violation | β-sitosterol | 456.74 | 2 | 0 | 7.63 | 142.97 | Yes; 1 violation | Bergenin | 328.27 | 9 | 5 | −0.72 | 72.80 | Yes; 0 violation | Gallicin | 184.15 | 5 | 3 | 0.57 | 43.79 | Yes; 0 violations | Catechin | 290.27 | 6 | 5 | 0.85 | 74.33 | Yes; 0 violation | Tannic acid | 1701.21 | 46 | 25 | 4.84 | 351.51 | — | Galloylepicatechin | 442.37 | 10 | 7 | 1.25 | 110.4 | Yes; 1 violation | Galloylcatechin | 442.37 | 10 | 7 | 1.44 | 110.04 | Yes; 1 violation | Stigmasterol | 412.69 | 1 | 1 | 6.97 | 132.75 | Yes; 1 violation | Mimosine | 198.18 | 5 | 3 | −1.96 | 48.08 | Yes; 0 violation | Betulinic acid | 456.7 | 3 | 2 | 6.13 | 136.91 | Yes; 1 violation | Mimopudine | 337.33 | 8 | 5 | −2.64 | 82.79 | Yes; 0 violation | Quercetin | 302.24 | 7 | 5 | 1.23 | 78.03 | Yes; 0 violation | Avicularin | 434.35 | 11 | 7 | 0.19 | 104.19 | No; 2 violations | Allantoin | 158.12 | 3 | 4 | −1.85 | 39.55 | Yes; 0 violation | p-Coumaric acid | 164.16 | 3 | 2 | 1.26 | 45.13 | Yes; 0 violation | 2-hydroxymethyl-chroman-4-one | 178.18 | 3 | 1 | 1.13 | 46.98 | Yes; 0 violation |
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