The application of bioinformatics tools in metabolomics-based drug targets discovery

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Student Project done by:

Lixiang ZHAI

The slides can be downloaded here

Introduction

Phytochemistry study of CP leaves

  • -Flavonoids

  • -Phenolic acids

  • -Triterpenoids

  • -Carbohydrates

  • -Polysaccharides

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Terminology & Objective

Metabolomics/Lipidomics

The metabolome represents the collection of all metabolites in a biological cell, tissue, organ or organism, which are the end products of cellular processes. The metabolomics is the study of their small-molecule metabolite profiles. In this study, we use lipidomics approach to specifically investigate lipids profiles under CP treatment.

Pharmacokinetics

is a branch of pharmacology dedicated to determining the fate of substances administered to a living organism. In this study, we will build phytochemical profiles of CP and compare the CP constituents in plasma samples to identify the CP constituents which ingested in plasma.

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Result

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Figure.2 the lipidomics study on serum from diabetic mice

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Figure.3 the selected lipids network analysis under CP treatment

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Figure.4 the protein-protein interactions between (a) lipids, (b) recognized components and lipids

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Table.2 The effect of direct target of CP components on in-direct lipids targets

  • Flavonoids: Kaempferol; Quercetin

  • Phenolic acids: quinic acid; neochlorogenic acid; chlorogenic acid; gallic acid; 4-hydroxybenzoic acid

  • Saponins: Quadranoside IV, Asiatic acid

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  • Flavonoids: PIK3CA, PIK3CB, PIK3C3
  • Phosphatidylinositol: 3-kinase, PLD2

  • Phospholipase D:PLAG3, PLA2G4D, PLA2G3 and PLA2G12A, Phospholipase A(2)

  • Phenolic acids:PIK3CA, PIK3C2A, PIK3CG, PIK3CB, PIK3C3

  • Phosphatidylinositol 3-kinase, Phosphatidylinositol-4,5-bisphosphate3-kinase, PLD2

  • Phospholipase D, PLA2GB

  • Phospholipase A(2), LRAT

  • Phosphatidylcholine-retinol-O-acyltransferase, PNLIP

  • Triacylglycerol lipase, LIPA

  • Carboxylesterase, LIPA


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