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UNIVERSITY HOLY SPIRIT KASLIK
FACULTY OF SCIENCES
Departement « Chemistry and live sciences »

Industrialscale, genomics-based
drug design and
discovery
By Imad Nmeir
Supervisor: Dr. Walid Harb

1
Table of content
Introduction
• Quote
• Reasons of these increases
Genomics and gene sequencing
• Genomics overview
• Databases overview
Pharmacogenomics
• Basis of pharmacogenomics
Methodology advancement
• Microarrays
• Proteomics
• Small molecules
• In silico Virtual screening
The future of drug design

2
Introduction

3
It is estimated that the
Number of Therapeutic
Molecular target will increase
From approximately 1000 used
Currently by pharmaceutical
Industries to perhaps as many
As 10 000
4
Reason of these increase

Understanding
how such
discovery
Tons of research affects drug
and funding
discovery
• Drug design and
discovery no
longer in academic
Fast pace
realm
discovery
• Increase of private
• Complete
and public funding
human
• Industrialization of
genome
drug
• 100+bacteria
l genome
• 4000 gene
each
• 3 000 000
SNPs

5
Genomics and gene
sequencing

6
Genomics overview

The study of gene
sequencing
More than 35000 genes
discovered in the human
genome
Inferior to the actual
number of proteins
discovered
Importance of alternative
splicing
7
Databases and their importance

Genes stored in databases

Databases of simple gene
sequences are obsolete

Additional information are
added to each database for
greater value

8
Pharmacogenomics

9
Basis of pharmacogenomics
SNP

Individual variation

Changes in drug
response

Important tool for
personal medicine

10
Methodology advancements

11
Microarrays

Ability to transform mRNA
into cDNA technology

Transforming the mRNA
into electronic output

mRNA
sequencing
Ability to compare large
amount of sequences to
each other

Revolutionize genetics
12
Proteomics
2D, 3D NMR

Protein size and
electric nature

Amino acid sequences

Mass
spectrometry

X-ray
crystallography

Protein 3-dimensional
shape
13
Small molecule drugs
Basis of
modern drug
design

Difficult to
search for
14
In Silico Virtual screening

Virtually screen for molecules to
be used as drugs
uses
molecule
shape and
properties

Uses special
algorithm

Uses already
existing
compounds

Reshapes
these
molecules
virtualy

Combines molecules
without synthesis them

Relatively
new
technique

Room for
improvement
15
The future of Drug design

16
Industrial
personalized
medicine

de novo
screening

The creation of entirely
new compound from nonexisting ones

• Uses special algorithm to
create these compounds

• Specific
compounds for
specific site
17
Thank you

18

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Pharmacogenomics

  • 1. UNIVERSITY HOLY SPIRIT KASLIK FACULTY OF SCIENCES Departement « Chemistry and live sciences » Industrialscale, genomics-based drug design and discovery By Imad Nmeir Supervisor: Dr. Walid Harb 1
  • 2. Table of content Introduction • Quote • Reasons of these increases Genomics and gene sequencing • Genomics overview • Databases overview Pharmacogenomics • Basis of pharmacogenomics Methodology advancement • Microarrays • Proteomics • Small molecules • In silico Virtual screening The future of drug design 2
  • 4. It is estimated that the Number of Therapeutic Molecular target will increase From approximately 1000 used Currently by pharmaceutical Industries to perhaps as many As 10 000 4
  • 5. Reason of these increase Understanding how such discovery Tons of research affects drug and funding discovery • Drug design and discovery no longer in academic Fast pace realm discovery • Increase of private • Complete and public funding human • Industrialization of genome drug • 100+bacteria l genome • 4000 gene each • 3 000 000 SNPs 5
  • 7. Genomics overview The study of gene sequencing More than 35000 genes discovered in the human genome Inferior to the actual number of proteins discovered Importance of alternative splicing 7
  • 8. Databases and their importance Genes stored in databases Databases of simple gene sequences are obsolete Additional information are added to each database for greater value 8
  • 10. Basis of pharmacogenomics SNP Individual variation Changes in drug response Important tool for personal medicine 10
  • 12. Microarrays Ability to transform mRNA into cDNA technology Transforming the mRNA into electronic output mRNA sequencing Ability to compare large amount of sequences to each other Revolutionize genetics 12
  • 13. Proteomics 2D, 3D NMR Protein size and electric nature Amino acid sequences Mass spectrometry X-ray crystallography Protein 3-dimensional shape 13
  • 14. Small molecule drugs Basis of modern drug design Difficult to search for 14
  • 15. In Silico Virtual screening Virtually screen for molecules to be used as drugs uses molecule shape and properties Uses special algorithm Uses already existing compounds Reshapes these molecules virtualy Combines molecules without synthesis them Relatively new technique Room for improvement 15
  • 16. The future of Drug design 16
  • 17. Industrial personalized medicine de novo screening The creation of entirely new compound from nonexisting ones • Uses special algorithm to create these compounds • Specific compounds for specific site 17