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<p>Isoprenaline (IPN) HCl is a nonselective β‐adrenergic agonist used in treating heart block and low heart rate. To determine the right percentage of isoprenaline HCl in a pharmaceutical the&#xa0;injectable solution, an RP-HPLC method was designed in the scope of this study. Chromatographic separation was carried out on an Inertsil C18 column (150 × 4.6&#xa0;mm, 2.7&#xa0;µm) at 40&#xa0;°C using methanol/0.1% o-phosphoric acid (v/v) (5:95) as the mobile phase at a flow rate of 1.0&#xa0;mL/min. A UV detector was operated at 280&#xa0;nm and the calibration curves were linear over a concentration range of 2.50–7.50&#xa0;µg/mL. The recovery values were calculated to be 99.13–100.34%. This method was successfully applied to quantify IPN HCl in injectable solutions. In addition, the method was validated according to the requirements of ICH guidelines. The proposed method for the determination of IPN was applied to pure and pharmaceutical preparations. Optimized geometric structures were drawn with GaussView 5. Then, the optimum geometric structures with the lowest energy were found with the Gaussian 09 program. These results will determine the most appropriate reaction pathways. Fragmentation patterns and degradation mechanisms initiated by hydroxyl radical attacks were evaluated in both gas and aqueous phases, incorporating solvation effects using the COSMO model. The molecular interactions of isoprenaline with β-adrenergic receptors were studied by molecular docking calculations and MD minimization in comparison with the natural ligands of these receptors, epinephrine and norepinephrine.</p>

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An Assay for Isoprenaline HCl in a Pharmaceutical Injectable Formulation by RP-HPLC Method: A Molecular Docking and DFT Study of Isoprenaline HCl

  • 期刊论文

  • 发表日期：

    2025年11月27日

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  • Deniz Ceyhan,
  • Pelin Koseoglu-Yilmaz,
  • Yelda Yalcin Gurkan,
  • Ayca Karasakal

摘要

Isoprenaline (IPN) HCl is a nonselective β‐adrenergic agonist used in treating heart block and low heart rate. To determine the right percentage of isoprenaline HCl in a pharmaceutical the injectable solution, an RP-HPLC method was designed in the scope of this study. Chromatographic separation was carried out on an Inertsil C18 column (150 × 4.6 mm, 2.7 µm) at 40 °C using methanol/0.1% o-phosphoric acid (v/v) (5:95) as the mobile phase at a flow rate of 1.0 mL/min. A UV detector was operated at 280 nm and the calibration curves were linear over a concentration range of 2.50–7.50 µg/mL. The recovery values were calculated to be 99.13–100.34%. This method was successfully applied to quantify IPN HCl in injectable solutions. In addition, the method was validated according to the requirements of ICH guidelines. The proposed method for the determination of IPN was applied to pure and pharmaceutical preparations. Optimized geometric structures were drawn with GaussView 5. Then, the optimum geometric structures with the lowest energy were found with the Gaussian 09 program. These results will determine the most appropriate reaction pathways. Fragmentation patterns and degradation mechanisms initiated by hydroxyl radical attacks were evaluated in both gas and aqueous phases, incorporating solvation effects using the COSMO model. The molecular interactions of isoprenaline with β-adrenergic receptors were studied by molecular docking calculations and MD minimization in comparison with the natural ligands of these receptors, epinephrine and norepinephrine.