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<p>Tolperisone (Tol) is a centrally acting muscle relaxant prescribed for conditions involving muscle pain. It is typically administered orally as a racemic mixture; however, variations in pharmacological properties between the two enantiomers have been reported, with the <i>S</i>-(<i>+</i>) enantiomer exhibiting greater muscle-relaxant activity. In this study, a capillary electrophoresis (CE) analytical method was developed to quantify Tol enantiomers in pharmaceutical formulations. Additionally, the chiral separation mechanisms were explored through a molecular modeling study utilizing SwissDock, a freely accessible, web-based small-molecule docking service. The effects of key CE parameters (background electrolyte concentration and pH, chiral selector type and concentration, temperature, and separation voltage) were thoroughly investigated. Separation was achieved within 15&#xa0;min in an internally uncoated fused-silica capillary (50&#xa0;μm ID, 56&#xa0;cm effective / 64.5&#xa0;cm total length) using a phosphate buffer containing 20 mM carboxymethyl-β-cyclodextrin (CM-β-CD) as the background electrolyte. The migration order and identification of the <i>R</i> and <i>S</i> enantiomers were ascertained through chiral liquid chromatography and optical rotation measurements. The proposed CE method was fully validated and employed to quantify each enantiomer in commercial tablets. Molecular docking results indicated the formation of inclusion complexes between the enantiomers and CM-β-CD, accompanied by ionic interactions and hydrogen bonds. However, enantio-resolution was primarily attributed to differences in the electrophoretic mobilities of the complexes rather than to enantiospecific affinities.</p> Graphical Abstract <p></p>

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Chiral analysis of tolperisone by capillary electrophoresis and separation mechanism exploration with SwissDock

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年6月22日

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  • Xuan-Lan Mai,
  • Thi-Anh-Tuyet Le,
  • Xuan Linh Mai,
  • Bao Tan Nguyen,
  • Huy Truong Nguyen,
  • Kyeong Ho Kim

摘要

Tolperisone (Tol) is a centrally acting muscle relaxant prescribed for conditions involving muscle pain. It is typically administered orally as a racemic mixture; however, variations in pharmacological properties between the two enantiomers have been reported, with the S-(+) enantiomer exhibiting greater muscle-relaxant activity. In this study, a capillary electrophoresis (CE) analytical method was developed to quantify Tol enantiomers in pharmaceutical formulations. Additionally, the chiral separation mechanisms were explored through a molecular modeling study utilizing SwissDock, a freely accessible, web-based small-molecule docking service. The effects of key CE parameters (background electrolyte concentration and pH, chiral selector type and concentration, temperature, and separation voltage) were thoroughly investigated. Separation was achieved within 15 min in an internally uncoated fused-silica capillary (50 μm ID, 56 cm effective / 64.5 cm total length) using a phosphate buffer containing 20 mM carboxymethyl-β-cyclodextrin (CM-β-CD) as the background electrolyte. The migration order and identification of the R and S enantiomers were ascertained through chiral liquid chromatography and optical rotation measurements. The proposed CE method was fully validated and employed to quantify each enantiomer in commercial tablets. Molecular docking results indicated the formation of inclusion complexes between the enantiomers and CM-β-CD, accompanied by ionic interactions and hydrogen bonds. However, enantio-resolution was primarily attributed to differences in the electrophoretic mobilities of the complexes rather than to enantiospecific affinities.

Graphical Abstract