In:
Letters in Drug Design & Discovery, Bentham Science Publishers Ltd., Vol. 20, No. 3 ( 2023-03), p. 353-364
Abstract:
〈 p 〉 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 & #945;-glucosidase
and Protein Tyrosine Phosphatase 1B (PTP1B) inhibitory activities of bioactive compounds from Mimosa pudica’s leaf extract. 〈 p 〉 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 & #945;-
glucosidase and PTP1B inhibitory activities of the isolated compounds were evaluated using pnitrophenyl phosphate and p-nitrophenyl- & #945;-D-glucopyranoside as a substrate, respectively. Molecular
docking and molecular dynamics are used 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. 〈 p 〉 Results: Protocatechuic acid and syringic acid were isolated and identified using spectroscopic
methods. Protocatechuic acid and syringic acid considerably inhibited & #945;-glucosidase enzyme at
IC 〈 sub 〉 50 〈 /sub 〉 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 IC 〈 sub 〉 50 〈 /sub 〉 values of 248.83 ±
7.66 μM and 450.31 ± 7.77 μM, respectively. Molecular docking and molecular dynamics results showed the interactions of protocatechuic acid and syringic acid with amino acids of PTP1B and & #945;-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 & #945;-glucosidase. The molecular dynamics simulation results of the complexes were also relatively
stable. 〈 p 〉 Conclusion: Our results showed that protocatechuic and syringic acids could be promising compounds
for type 2 diabetes treatment. 〈 /p 〉
Type of Medium:
Online Resource
ISSN:
1570-1808
DOI:
10.2174/1570180819666220510105202
Language:
English
Publisher:
Bentham Science Publishers Ltd.
Publication Date:
2023
SSG:
15,3
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