Bioactive Compounds from Mimosa Pudica Leaves Extract with their α-glucosidase and Protein Tyrosine Phosphatase 1B Inhibitory Activities in Vitro and in Silico Approaches

Background: Mimosa pudica Linn. has been used in traditional medicine to support the treatment of type 2 diabetes. In the present study, we aimed to isolate and evaluate α-glucosidase and protein tyrosine phosphatase 1B (PTP1B) inhibitory activities of bioactive compounds from Mimosa pudica’s leaf extract. Methods: Mimosa pudica leaves were extracted with 80% of ethanol. Bioactive compounds were isolated using a column chromatographic technique and elucidated the structure based on the nuclear magnetic resonance and electrospray ionization mass spectrometry spectral data. The α-glucosidase and PTP1B inhibitory activities of the isolated compounds were evaluated using p-nitrophenyl phosphate and p-nitrophenyl-α-D-glucopyranoside as a substrate, respectively. Molecular docking and molecular dynamics to study the interaction between isolated compounds and proteins. Lipinski’s rule of five was used to evaluate the drug-like properties of isolated compounds. Predict pharmacokinetic parameters were evaluated using the pkCSM tool. Results: Protocatechuic acid and syringic acid were isolated and identified by using spectroscopic methods. Protocatechuic acid and syringic acid considerably inhibited α-glucosidase enzyme at IC50 values of 416.17 ± 9.41 µM and 490.78 ± 9.28 µM, respectively. Furthermore, protocatechuic acid and syringic acid expressed strong PTP1B inhibitory activity at IC50 values of 248.83 ± 7.66 µM and 450.31 ± 7.77 µM, respectively. In silico molecular docking and molecular dynamics study showed the interactions of protocatechuic acid and syringic acid with acid amines of PTP1B and α-glucosidase enzyme. Lipinski’s rule of five and absorption, distribution, metabolism, excretion, and toxicity studies predicted that protocatechuic acid and syringic acid have drug-likeness properties. In molecular docking simulation, protocatechuic acid and syringic acid gave relatively negative free binding energies and interacted with many amino acids in the active sites of PTP1B and α-glucosidase. The molecular dynamics simulation results of the complexes were also relatively stable. Conclusion: Our results showed that protocatechuic acid and syringic acid could be promising compounds for type 2 diabetes treatment.