it is a descrption about drug discovery process

1. ANOLOG BASED DRUG DESIGN AND DRUG
DISCOVERY

2. CONTENTS:-
DEFINITIONS
CAD ( computer aided drug design
Analog drug design
Bioisosterism and its types with example
Lead discovery and its approches
Principles involved in drug discovery and
development
Screening techniques

3. •Drug discovery is a process which aims at
identifying a compound therapeutically useful in
curing and treating disease.
•This process involves the identification of
candidates, synthesis, characterization, validation,
optimization, screening and assays for therapeutic
efficacy.

4. General principles they are
•Choose a disease
•Choose a drug target
•Identify a bioassay
•Find a lead compound
•Isolate and purify the lead compound
•Differentiate the structure of the lead compounds
•SARs
•Identify the pharmacophore
•Improve target interaction

5. Miscellaneous principles
•Improve pharmacokinetic parameters
•Study drug metabolism
•Test for toxicity design a manufacturing process
•Clinical trails

9. 1. Conventional stratagies
a) analysis of pathophysiology
b) analysis of MOA of existing drugs
2.New stratagies
a) disease genes
b) disease modifying genes

11. Valuable discoveries ‘accidentally’, ‘luckily’, ‘suddenly’ by
pharmacists, chemists, physicians & other investigators is
called serendipity.
EXAMPLE
A patient was infected with intestinal parasite and was supposed to be
give Napthalene.But he was given accidentally “Acetanilide”. The fever
of the patient was reduced.Thus acetanilide was accidentally
discovered as an antipyretic agent .But now a day it is not used as
antipyretic due to its nephro toxicity.

12. CADD:
 to determine the structure of the protein and its binding site
 to determine the molecule which will fit and bind
 Computerered screening of structural data base:
this is related to pharmacophore of the drug

14. During lead discovery, : to find a drug-like small molecule or biological
therapeutic, typically termed a development candidate, that will
progress into preclinical, and if successful, into clinical development
and ultimately be a marketed medicine.
Analog design is usually defined as the modification of a drug
molecule or of any bioactive compound in order to prepare a new
molecule showing chemical and biological similarity with the
original model compound

15.  SAR defined
 Drug ability
Synthetic feasibility
 Select mechanistic assays
 In vitro assessment of drug resistance and efflux potential
 Evidence of in vivo efficacy of chemical class
 PK/Toxicity of chemical class known based on preliminary
toxicity or in silico studies

16. HIGH – THROUGHPUT SCREENING(HTS)
 it is method for scientific experimentation especially
used in drug discovery and relevant to the field of
biology and chemistry using robotics , data processing
and control software, liquid handling devices and
sensitive detectors

17. Bioisosteres are chemical substituents or groups with similar
physical or chemical properties which produce broadly
similar biological properties to another chemical compound.

18.  In drug design]the purpose of exchanging one bioisoster for
another is to enhance the desired biological or physical
properties of a compound without making significant changes in
chemical structure.
The main use of this term and its techniques are related to
pharmaceutical sciences
. Bioisosterism is used to reduce toxicity change bioavailability, or
modify the activity of the lead compound, and may alter the
metabolism of the lead.

19. BIOISOSTERIC REPLACEMENT
Improving potency
Enhancing selectivity
Altering physical properties
Reducing or redirecting metabolism
Eliminating or modifying toxico phore