The document discusses drug design and the drug development process. It describes the two main types of drug design: ligand-based drug design, which relies on knowledge of molecules that bind to the biological target, and structure-based drug design, which models the 3D structure of a protein target. The drug development process involves six main stages: hit identification, pre-clinical studies, manufacturing, clinical trials, regulatory evaluation, and marketing. Overall, drug discovery and development is a complex, expensive process that can take 15 years from initial screening to FDA approval and market launch.

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2.  Introduction
 History
 Types of Drug Design
1. Ligand-Based Drug Design
2. Structure-Based Drug Design
 Processes of Drug Design
 Conclusions
 References
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3. The method that deals with the discovery or design of new
therapeutic agents and their development into useful
medicines.
It is mainly done by the help of certain modelling software
such as Computer-aided drug design (CADD).
The CADD uses computational methods to stimulate drug
interactions, and are greatly dependent on bioinformatics
tools, applications & databases.
Nowadays ‘In silico drug design & development’ has
become a very common term in the scientific community.
The drug discovery process is very complex and expensive.
The complete drug research & development (R & D)
processes have been done by insightful case studies.

4. Drug discovery is a 20th century endeavour that has
developed immensely over time, based on the scientific skill.
During 1940s, much of the drug discovery processes was
dependent on plant source & serendipity.
This technology was based on synthetic chemistry with
qualitative testing of compounds.
The 2nd phase of drug discovery emerged with advances in
protein biochemistry & enzymology.
The 3rd phase reflects computational designing of
compounds, which leads to cure of the disease.
Computational drug discovery (CDD) is a well-established
scientific discipline in pharmaceutical research.

5. • The ultimate goal of CDD is the development of innovative
scientific concepts to simultaneously optimize and design the
compounds with respect to potency, selectivity, efficacy and
ADMET.
• ADMET :- Refers to Adsorption, Distribution, Metabolism,
Excretion and Toxicity properties.

7. TYPES OF
DRUG DESIGN
LIGAND-BASED
DRUG DESIGN
STRUCTURE-
BASED DRUG
DESIGN

8. • Also called indirect drug design.
• It relies on the knowledge of other
molecules that bind to the biological
target of interest.
• These other molecules may be used to
derive a pharmacophore model that
defines the minimum necessary structural
characteristics a molecule must possess in
order to bind to the target.
• In other words, a model of the biological
target may be built based on the
knowledge of what binds to it, and this
model in turn may be used to design new
molecular entities that interact with the
target.

10. • Also called direct drug design.
• This method involves the
modelling of the 3D structure of
a protein.
• This protein serves as a potential
drug target interacting with the
various lead compounds to
guide drug discovery.
• Structure-based drug design is
often used in conjunction with
combinatorial chemistry
approaches.
• This involves management of
large databases of small
molecules, or combinatorial
libraries.

12. The drug discovery process can be divided into following six
stages :
• Hit Identification
• Pre-clinical studies
• Manufacturing
• Clinical trial stage
• Regulatory evaluation stage
• Marketing stage

13. Hit Identification :
• It is the first step which involves the screening of potential
drug from compound libraries.
• For example: 10,000 molecules might be screened or identified
as a potential new drug, but only about 10-15 of them might be
proceeds for further study.
Pre-clinical Studies :
• The identified potential drugs are advanced through the lead
identification & lead optimization phases to identify a
candidate with desired efficacy.
• Lead compounds are often tested by high-throughput
screenings (HTS) which can screen compounds for their ability
to antagonist or agonist a receptor of interest as well as
determine their selectivity for them.

14. Manufacturing :
• In this phase, initial production of drug takes place for
clinical trial stage.
• After the successful clinical trial stage, the drug is
produced at large-scale for market supply.
Clinical Trial Stage :
• This stage involves the checking of compound’s efficacy &
superiority.
• If the compound lacks efficacy or is inferior to competitive
products, then it could be return to the hit identification.
• The successful clinical trial stage of compounds followed
by the next step i.e. Regulatory evaluation stage.

15. Regulatory Evaluation Stage :
• This stage involves the registration & licensing of drug.
• It is a costly & lengthy process involving the regulatory
review of a vast amount of data.
• Drugs approved by the Food and Drug Administration
(FDA) for sale in the United States.
• The Central Drugs Standard Control
Organization (CDSCO) is the national regulatory body
for Indian pharmaceuticals and medical devices, and serves
parallel function to the European Medicines Agency of
the European Union, the PMDA of Japan and the Food and
Drug Administration (FDA) of the United States.
Marketing Stage :
• The FDA approved drug are ready for use.
• After that the drugs are manufactured at large-scale &
launched commercially for market supply & use.

16. DRUG DISCOVERY & DEVELOPMENT PROCESS

17. 10,000
COMPOUNDS
250
COMPOUNDS 5 COMPOUNDS
1 FDA
APPROVED
DRUG
~6.5 YEARS ~7 YEARS ~1.5 YEARS
DRUG
DISCOVERY
PRECLINICAL
CLINICAL TRIALS FDA
REVIEW
Drug Discovery &
Development-Timeline

18.  The discovery of new therapeutic agents and their
development into medicines are greatly dependent on
certain bioinformatics tools, applications and databases.
Drug discovery and development is a very complex,
expensive and time-taking process.
The whole process of drug development takes about 15
years.
The process of drug design involves six complex stages.
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19. BOOKS
• Ghosh Z and Mallick B. (2008). Bioinformatics: Principles and
Applications, Oxford University Press.
• Pevsner J. (2009). Bioinformatics and Functional Genomics, II
Edition, Wiley Blackwell.
WEBSITES
• https://en.wikipedia.org/wiki/limbdevelopment/
• https://www.ncbi.nlm.nih.gov/books/
• www.iaszoology.com/tetrapodlimb/
• https://images.google.com/
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20. Thank You