Background <p><i>Bryophyllum pinnatum</i> (Kalanchoe pinnata) is a medicinal plant traditionally used to treat asthma, tuberculosis, and inflammation. Rich in flavonoids, especially quercetin, it exhibits anti-inflammatory and antimicrobial properties. This study investigates its potential therapeutic effects by isolating quercetin and evaluating its pharmacological activities through laboratory and computational methods.</p> Results <p>The study began with organoleptic and physicochemical evaluations confirming the quality and identity of <i>Bryophyllum pinnatum</i> leaves. The total flavonoid content was found to be 0.143&#xa0;g quercetin equivalent/g of extract. Preparative Thin Layer Chromatography (TLC) and High-Performance Thin Layer Chromatography (HPTLC) successfully isolated quercetin, verified through a retention factor (Rf) of ~ 0.57, which closely matched that of standard quercetin. Structural confirmation was achieved through IR, NMR, and mass spectroscopy. Molecular docking studies demonstrated that quercetin exhibited strong binding affinity to Human Aurora B kinase (PDB ID: 4AF3), a target in <i>Mycobacterium tuberculosis</i>, with a docking score of − 8.6&#xa0;kcal/mol, indicating potential anti-tubercular activity. Similarly, docking with the β2-adrenergic receptor (PDB ID: 3V98), relevant to asthma, showed a binding affinity of − 7.2&#xa0;kcal/mol, suggesting bronchodilator potential. Pharmacological assays supported these findings. The Microplate Alamar Blue Assay (MABA) revealed that the ethanolic extract inhibited the growth of <i>Mycobacterium tuberculosis</i> at specific concentrations. In anti-asthmatic testing using isolated goat trachea, the extract reduced histamine induced contractions, confirming bronchodilatory effects. Overall, the results validate the traditional therapeutic uses of the plant.</p> Conclusions <p>Quercetin was isolated from <i>Kalanchoe Pinnata</i> and confirmed by IR, NMR, and MS. Molecular docking showed strong binding to Aurora B kinase (anti-tubercular) and β2-adrenergic receptor (anti-asthmatic), supporting its traditional use against tuberculosis and airway inflammation due to its potential inhibitory and bronchodilatory effects.</p>

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Bioactive flavonoid quercetin from Kalanchoe Pinnata (Lam.): isolation, characterization, and targeted activity against tuberculosis and asthma

  • Shravani K. Patil,
  • M. S. Kondawar,
  • Sakshi B. Shinde,
  • Ashish A. Magdum,
  • Shubham S. Gadhave

摘要

Background

Bryophyllum pinnatum (Kalanchoe pinnata) is a medicinal plant traditionally used to treat asthma, tuberculosis, and inflammation. Rich in flavonoids, especially quercetin, it exhibits anti-inflammatory and antimicrobial properties. This study investigates its potential therapeutic effects by isolating quercetin and evaluating its pharmacological activities through laboratory and computational methods.

Results

The study began with organoleptic and physicochemical evaluations confirming the quality and identity of Bryophyllum pinnatum leaves. The total flavonoid content was found to be 0.143 g quercetin equivalent/g of extract. Preparative Thin Layer Chromatography (TLC) and High-Performance Thin Layer Chromatography (HPTLC) successfully isolated quercetin, verified through a retention factor (Rf) of ~ 0.57, which closely matched that of standard quercetin. Structural confirmation was achieved through IR, NMR, and mass spectroscopy. Molecular docking studies demonstrated that quercetin exhibited strong binding affinity to Human Aurora B kinase (PDB ID: 4AF3), a target in Mycobacterium tuberculosis, with a docking score of − 8.6 kcal/mol, indicating potential anti-tubercular activity. Similarly, docking with the β2-adrenergic receptor (PDB ID: 3V98), relevant to asthma, showed a binding affinity of − 7.2 kcal/mol, suggesting bronchodilator potential. Pharmacological assays supported these findings. The Microplate Alamar Blue Assay (MABA) revealed that the ethanolic extract inhibited the growth of Mycobacterium tuberculosis at specific concentrations. In anti-asthmatic testing using isolated goat trachea, the extract reduced histamine induced contractions, confirming bronchodilatory effects. Overall, the results validate the traditional therapeutic uses of the plant.

Conclusions

Quercetin was isolated from Kalanchoe Pinnata and confirmed by IR, NMR, and MS. Molecular docking showed strong binding to Aurora B kinase (anti-tubercular) and β2-adrenergic receptor (anti-asthmatic), supporting its traditional use against tuberculosis and airway inflammation due to its potential inhibitory and bronchodilatory effects.