1. Molecular Docking Study of Quercetin from Ethanol Extract of Mimosa pudica Linn on Asthma Biomarkers.
- Author
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Kristianingsih, Ani, Soetrisno, Reviono, Reviono, and Wasita, Brian
- Subjects
QUERCETIN ,MOLECULAR docking ,SENSITIVE plant ,THIN layer chromatography ,IMMUNOGLOBULIN E - Abstract
Asthma is a chronic disease affecting approximately 12% of pregnant women, with prevalence rates reported to be as high as 16%. Managing asthma in pregnancy can have implications for the foetus, thus making the choice of treatment crucial. Antihistamines play a key role in managing asthma by addressing allergies and reducing bronchial contractions. Mimosa pudica L, a medicinal plant, may offer potential benefits in managing asthma during pregnancy due to its quercetin content. This study aims to determine the quercetin content of the ethanol extract of Mimosa pudica (EEMP), and investigate its antiasthmatic activity in silico. EEMP was obtained by maceration in ethanol at room temperature for 24 h. The quercetin content was determined by thin-layer chromatography (TLC)-densitometry. The antiasthmatic activity was investigated via molecular docking of the test ligand (quercetin) with asthma biomarkers - histamine and immunoglobulin E (IgE) using various docking tools, including Lenovo Ideapad, AutoDock Tools (v1.5.6), Biovia Discovery Studio, AutodockVina, Swiss ADME, VegaZZ, PubChem, and the pkCSM web server. Quercetin content in EEMP was found to be 327.61 mg/kg. Quercetin demonstrated a high docking score, which was comparable to that of the control ligand prednisolone. Molecular docking interactions of quercetin with IgE showed a docking score of - 4.20 kcal/mol, which was more favourable than that of prednisolone. However, for histamine, the average docking score was -7.85 kcal/mol, which was less favourable than that of prednisolone. These findings suggest that quercetin could serve as a potential treatment for reducing IgE and histamine levels in individuals with asthma. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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