Research Article

α-Amylase Inhibitory Activity of Catunaregam spinosa (Thunb.) Tirveng.: In Vitro and In Silico Studies

Table 4

Pharmacokinetic and drug-likeness properties of selected ligands.

S.N.NameNo of rotatable bondsTPSA1Consensus log LogS (ESOL2)Drug-likeness (Lipinski’s rule)

1.Acarbose9321.17 Å-6.222.13No (3 violations)
2.Balanophonin685.22 Å2.34-3.28Yes (0 violations)
3.Catunaregin257.15 Å2.09-2.88Yes (0 violations)
4.β-Sitosterol620.23 Å7.19-7.90Yes; (1 violations)
5.Medioresinol586.61 Å2.33-3.65Yes (0 violations)
6.Morindolide146.53 Å0.86-0.82Yes (0 violations)
7.Scopoletin159.67 Å1.52-2.46Yes (0 violations)

TPSA: topological polar surface area; ESOL: estimated aqueous solubility; data source: https://www.swissadme.ch.