Multivariate Analysis of Analytical Chemistry Data and Utility of the KNApSAcK Family Database to Understand Metabolic Diversity in Medicinal Plants

  • Taketo Okada
  • Farit Mochamad Afendi
  • Akira Katoh
  • Aki Hirai
  • Shigehiko Kanaya


Due to the advances in computational sciences and analytical chemistry, metabolome analysis, which aims to elucidate metabolic diversity in organisms, has been demonstrated. The metabolomic approach has been frequently employed in medicinal plant studies because it can comprehensively and simultaneously analyze numerous metabolites with medicinal properties. To demonstrate metabolome analysis of medicinal plants, this chapter introduces: (1) comprehensive metabolite analysis based on analytical chemistry, (2) multivariate analysis of analytical chemistry data, and (3) a metabolite database search to identify signal processing in chemical analysis. In particular, the utility and role of the KNApSAcK Family database, which is a medicinal plant database connected with metabolites constructed by our group, are explained in detail. Additionally, this chapter describes the effectiveness and potential of computational systems biology in medicinal plant research.


Nuclear Magnetic Resonance High Performance Liquid Chromatography Medicinal Plant Hierarchical Cluster Analysis Nuclear Magnetic Resonance Spectroscopy 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.



This work was partially supported by the National Bioscience Database Center in Japan.


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Copyright information

© Springer-Verlag Berlin Heidelberg 2013

Authors and Affiliations

  • Taketo Okada
    • 1
  • Farit Mochamad Afendi
    • 2
  • Akira Katoh
    • 3
  • Aki Hirai
    • 2
  • Shigehiko Kanaya
    • 2
  1. 1.Faculty of Pharmaceutical Sciences at Kagawa CampusTokushima Bunri UniversitySanuki-CityJapan
  2. 2.Graduate School of Information ScienceNara Institute of Science and TechnologyIkomaJapan
  3. 3.Graduate School of Biological SciencesNara Institute of Science and TechnologyIkomaJapan

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