1. PHARMACOPHORE MAPPING FOR
NS1 PROTEIN OF H1N1 VIRUSES
Patel Nimesh.G
Msc-Bioinformatics.
Nima_btech1989@yahoo.in
Ganpat University.

2. DRUG DESIGN
 The process of finding drug by design.
 Based on what the drug targeting?
 Metabolic or Signaling pathway
Specific for disease or pathology.
“A substances used in
the
diagnosis, treatment Drugs
or prevention of
disease.
Bind to active site & Work.

3. TYPES OF DRUG DESIGN
SBDD LBDD
 Structure of receptor/  No knowledge of receptor
target is known. or target.
 Active site & ligand are  Drugs can be designed by
designed. already known ligand.
 Highly used in protein
targeting.

4. VIRTUAL SCREENING
 Computational technique.
 Producing large libraries of compound that docked in
to the binding site using computer programme.
 The goal is finding interesting new scaffolds rather
than many hits.
 Low hits rate are clearly very preferable.

5. SWINE FLU(H1N1)
 Swine flu is also called as H1N1, is a respiratory
disease of pigs that now spread in to human.
 On 17 April,2009 OFFICIALS AT THE CENTRES
FOR DISEASE CONTROL OR PREVENTION(CDC)
confirmed two cases of swine flu in children at
neighboring country in California.
 Before 1918, influenza in human was well known
but the diseased had never been described in pigs.

6.  Spreading the human influenza A(H1N1) viruses world
wide and killed 40 million to 50 million people.
 3 types of influenza viruses. A B C
 Animal & Human Human
Birds,pigs,horses,
Seals, whales
 Symptoms:
 Fever
 Cough
 Chills & Body aches.

7. PHARMACOPHORE
 First introduced in 1990 by “Paul Herilich”.
 Refer as “A molecular framework that is recognized as
a receptor site with essential features responsible for a
drug’s biological activity”.
 A pharmacophore represents molecules features
including as
 3D (Hydrophobic group, charged/ ionizabel group ,H donor or
acceptor )
 2D (Substructures)
 1D (Physical or biological properties)

8. “LOCK & KEY MODEL”
 In 1894, German chemist , Emil Fischer proposed.
 Structure of the receptor or enzyme protein is as lock
and drag as work as key.

9. PHARMACOPHORE MAPPING SOFTWARE
 Discovery Studio:
 Window® and Linux® based protein modeling
software.
 Produced by Accelrys Software company.
 Easy to use interface.

10.  Ligand Scout:
 Powerful structure and ligand based pharmacophore
model software.
 Extracts & interprets ligand and their macromolecules
from PDB files and automatically creates & visualized
advance 3D structure.

11. Thank You