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6 September 2016

FK

LECTURERS

1. Fransiska Kurniawan
(fransiskakurniawan@yahoo.com)
MID TEST
2. Hubbi N. M.

3. Deden Indra
FINAL TEST

4. Rika Rendrika
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WEEK TOPIC DATE

1 INTRODUCTION 6 Sept 2016

2 BASIC PRINCIPLE OF DRUG DESIGN I 13 Sept 2016


Drugs : structure and properties

3 BASIC PRINCIPLE OF DRUG DESIGN II 20 Sept 2016


Receptor : structure and properties

4 BASIC PRINCIPLE OF DRUG DESIGN III 27 Sept 2016


Designing drug molecules to fit receptors
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REFERENCES

1. Thomas Nogrady and Donald F. Weaver, 2005, Medicinal


Chemistry : A Molecular and Biochemical Approach, New
York : Oxford University Press, Inc.
2. Gareth Thomas, 2003, Fundamentals of Medicinal Chemistry,
England : John Wiley & Sons Ltd.
3. Graham L. Patrick, 2009, An Introduction to Medicinal
Chemistry, 4th ed, New York : Oxford University Press, Inc.
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MEDICINAL CHEMISTRY

• Medicinal Chemistry
(IUPAC)
Field that concerns about
the discovery,
the development,
the identification and
the interpretation of the mode
of action of biologically active
compounds at the molecular
level
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BIOLOGICAL ACTIVITY, WHAT DOES IT MEAN?

• Compound
Interaction and target

Affect
Phy/Bio • Influence
Process

Increase NO NEW
FUNCTION !!
and reduce
function
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MOLECULAR LEVEL ?
J.C. Kendrew: the first protein model (myoglobin)

Prof Gago, 2014


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MOLECULAR LEVEL ?

M. Perutz: a model of hemoglobin

Prof Gago, 2014


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MOLECULAR LEVEL ?

Prof Gago, 2014


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MEDICINAL CHEMISTRY

The primary objective of medicinal chemistry is the design and


discovery of new compounds that are suitable for use as drugs.
(Thomas, 2003)

Pharmacology
Organic Biology
Chemistry

Medicinal
Biochemistry
Chemistry
Mathematics

Computer and
Medicine Bioinformatic
Toxicology
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MEDICINES VS DRUGS
Medicines :
the substances used to treat diseases

Drugs :
are the molecules used as medicines or
as components in medicines to
diagnose, cure, mitigate, treat, or prevent
disease
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GOOD DRUG VS BAD DRUG

BAD GOOD
• Toxic
• Side effect • Effective
• Addictive • Safe
• No side effect
• Easy to take
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A glimpse of History :
From OPIUM preparation to the isolation of MORPHINE
Papaver somniferum

(Prof Gago, 2014)


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MORPHINE
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HEROIN
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MORPHINE TO HEROIN
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CURARE

Curare  deadly poison

NOW

To make the
muscle relax
during surgical
operation
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CAFFEINE

Stimulant

good

CAFFEINE
bad

Addictive
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NICOTINE
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DRUGS

 No drug is totally safe. Drugs vary in the


side effects they might have.

 The dose level of a compound determines


whether it will act as a medicine or as a
poison
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“ EvErything is poison,
nothing is poison
it is thE dosE that makEs thE poison “
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BASIC PRINCIPLE OF DRUG DESIGN

drugs
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From DYES TO EVERYWHERE

Paul Ehrlich :
Test various azo dyes were effective agents against
trypanosomiasis (“ sleeping sickness ”) in mice;
however, none was effective in man.
He began an exhaustive search for “ magic bullet ” that able to
kill the microbe but not the person when killing the
disease

Not too effective against trypanosomiasis, but good on Syphilis


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RATIONAL DEVELOPMENT OF SYNTHETIC DRUG

Method : SAR
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DRUG DISCOVERY PATHWAY

Identify disease
Find a drug effective
against disease protein
(2-5 years)
Scale-up
Isolate protein
involved in
disease (2-5 years)
Human clinical trials
Preclinical testing (2-10 years)
(1-3 years)

Formulation

FDA approval
(2-3 years)
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DRUG DISCOVERY
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ASSIGNMENT

Make group (max 8 persons per group)


Search international journal about development of 1 drug
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ASSIGNMENT

Make group (max 8 persons per group)


Search international journal about development of 1 drug

Make resume (hardcopy) and submit at 27 Sept 2016.


All of the references submitted by email.
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EXAMPLE OF JOURNAL