Bioinformatics in Drug Development

Published January 22, 2017 11:28:19 AM  |  Last update April 21, 2019 05:43:04 AM
Bioinformatics is a research area where biology, computer science and information technologies merge into a single discipline. The ultimate goal of the area is to enable the discovery of new biological insights as well as to create a global perspective from which unifying principles in biology can be discerned.

 
Thanh Le
July 2012
Outline
  • Introduction to Bioinformatics
  • Molecular biology
  • Diseases
  • Drug development
  • Bioinformatics and applications
Bioinformatics
    • Molecular Biology
    • Computer Science
    • Information Technology
    • They come together to form a science field: Bioinformatics
Molecular biology
  • Living organisms are constructed from cells
  • Cell contains genes
  • Genes hold the information to build and maintain cell structures
  • Genes produce proteins
  • An organism function is performed by a protein or a set of proteins
  • Cell is the basic structural and functional unit
Diseases
  • Gene replication may have errors called mutations
  • Cell contains many DNA repair mechanisms
  • Genes with mutations produce abnormal proteins
  • Abnormal proteins may function improperly, and
  • Diseases then occur
Understand disease
  • How the genes are altered in abnormal tissues
  • How their products, proteins, are affected
  • How these proteins interact with other proteins
  • How the disease affects the entire patient
  • Alzheimer's Disease
Disease target identification
  • Genes or proteins involved in the disease
  • Experimental target validation,
    1. Collecting abnormal tissues
    2. Screening the tissues
    3. Validating targets using gene expression, pathway and protein-protein interaction data
    4. Traditional approaches
Drug discovery
  • Search for the compound acting on targets
    1. Search in the nature
    2. Develop new compound
    3. Try existing compounds
      • Using compound
      • Screening the treated tissues
      • Validating targets
      Bioinformatics methods .
  • The lead compound can become a new medicine
Drug test - ADME/TOX
  • Absorbed into the bloodstream
  • Distributed to the proper site of action in the body
  • Metabolized efficiently and effectively
  • Excreted from the body
  • To be not toxic
ADME/Tox studies are performed in living cells, in animals and via computational models.
Applications of Bioinformatics
  • Algorithms to group genes into groups
    1. Regulated similarly
    2. Having similar functions
    3. Having similar structures
  • Algorithms to classify genes into classes
    1. Having the same functions
    2. Having the same structures
  • Computer-based simulation methods
    1. Computer-based visualizations
    2. Computer-aided designs
Thank you!
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