The document summarizes key aspects of drug design, discovery, and development processes. It discusses identifying a disease target, finding a lead compound, preclinical testing involving formulation and animal studies, conducting human clinical trials for approval, and scaling up manufacturing. Computer-aided drug design and in silico methods like molecular docking are described which use computer modeling to facilitate drug discovery. Challenges in drug development like permeability, stability, solubility are highlighted. The lengthy and expensive nature of developing a new drug taking 15-16 years and costing $880 million on average is also noted.
The basic aspects of drug discovery starts from target discovery and validation further going to lead identification and optimization. In this particular slide discussion is regarding the target discovery and the tools that have been utilized in this process.
Drug discovery is an inventive process of identifying a compound or new medication based on knowledge of biological target, therapeutically useful in treating and curing a disease.
The process of drug discovery involves the identification of candidates,synthesis, characterization,screening,assays for therapeutic efficacy.
Once a compound has shown its value in these tests, it will begin the process of drug development prior to clinical trials.
Drug Discovery: Target Identification and Validation Lindsay Rosenwald
For many years, pharmaceutical research companies have developed new drugs using a standard drug discovery process. The process usually begins with extensive medical research about a particular disease, which provides researchers with a better understanding of the disease and how it affects the body. The next step of the drug discovery process typically involves target identification and target validation.
INTRODUCTION
A PERFECT THERAPEUTIC DRUG
DRUG DISCOVERY- HISTORY
MODERN DRUG DISCOVERY
BIOINFORATICS IN DRUG DISCOVERY
DRUG DISCOVERY BASED ON BIOINFORMATIC TOOLS
BIOINFORMATICS IN COMPUTER-AIDED DRUG DISCOVERY
ECONOMICS OF DRUG DISCOVERY
CONCLUSION
REFERENCES
clinical and preclinical approaches to drug discovery.Here we mainly deals with preclinical approaches, ie. Pharmacological approach and toxicological approach
Molecular target and development modelsAmjad Afridi
Molecular targets are cellular or tissue structures that are intended to be visualized by means of molecular imaging.
Different biological structures can potentially serve as imaging targets.
These Targets ranging from gene mutations, mRNA levels, protein levels, DNA, RNA and enzyme activities.
Drug design is the inventive process of finding new medications based on the knowledge of the biological target.
In the most basic sense, drug design involves design of small molecules that are complementary in shape and charge to the bio-molecular target to which they interact and therefore will bind to it.
Drug design frequently but not necessarily relies on computer modeling techniques. This type of modeling is often referred to as computer-aided drug design.
Types;-
Random screening
Trial and error method
Ethnopharmacology approach
Serendipity method
Classical pharmacology
Chemical structure based drug discovery
Role of Target Identification and Target Validation in Drug Discovery ProcessPallavi Duggal
Target identification and Validation tells about the how target is neccesary for new drug discovery and its development to reach into market for rare diseases.
Overview of computer aided drug designing.
Clinical and Pre-clinical trials.
Prediction of properties and Drug-likeness.
Advanced treatments of protein-ligand binding.
Summary
The basic aspects of drug discovery starts from target discovery and validation further going to lead identification and optimization. In this particular slide discussion is regarding the target discovery and the tools that have been utilized in this process.
Drug discovery is an inventive process of identifying a compound or new medication based on knowledge of biological target, therapeutically useful in treating and curing a disease.
The process of drug discovery involves the identification of candidates,synthesis, characterization,screening,assays for therapeutic efficacy.
Once a compound has shown its value in these tests, it will begin the process of drug development prior to clinical trials.
Drug Discovery: Target Identification and Validation Lindsay Rosenwald
For many years, pharmaceutical research companies have developed new drugs using a standard drug discovery process. The process usually begins with extensive medical research about a particular disease, which provides researchers with a better understanding of the disease and how it affects the body. The next step of the drug discovery process typically involves target identification and target validation.
INTRODUCTION
A PERFECT THERAPEUTIC DRUG
DRUG DISCOVERY- HISTORY
MODERN DRUG DISCOVERY
BIOINFORATICS IN DRUG DISCOVERY
DRUG DISCOVERY BASED ON BIOINFORMATIC TOOLS
BIOINFORMATICS IN COMPUTER-AIDED DRUG DISCOVERY
ECONOMICS OF DRUG DISCOVERY
CONCLUSION
REFERENCES
clinical and preclinical approaches to drug discovery.Here we mainly deals with preclinical approaches, ie. Pharmacological approach and toxicological approach
Molecular target and development modelsAmjad Afridi
Molecular targets are cellular or tissue structures that are intended to be visualized by means of molecular imaging.
Different biological structures can potentially serve as imaging targets.
These Targets ranging from gene mutations, mRNA levels, protein levels, DNA, RNA and enzyme activities.
Drug design is the inventive process of finding new medications based on the knowledge of the biological target.
In the most basic sense, drug design involves design of small molecules that are complementary in shape and charge to the bio-molecular target to which they interact and therefore will bind to it.
Drug design frequently but not necessarily relies on computer modeling techniques. This type of modeling is often referred to as computer-aided drug design.
Types;-
Random screening
Trial and error method
Ethnopharmacology approach
Serendipity method
Classical pharmacology
Chemical structure based drug discovery
Role of Target Identification and Target Validation in Drug Discovery ProcessPallavi Duggal
Target identification and Validation tells about the how target is neccesary for new drug discovery and its development to reach into market for rare diseases.
Overview of computer aided drug designing.
Clinical and Pre-clinical trials.
Prediction of properties and Drug-likeness.
Advanced treatments of protein-ligand binding.
Summary
Software Used In Formulation Design Process (Pharmaceutics).PdfRAHUL PAL
This is an Minor project of mine, to explaining the Various software which are generally used in the designing for drug dosage form .
This project gave me more of the knowledge about drug designing.
In which lots of software are considered as Formulation.
Helping for PHARMACEUTICS, PHARMACEUTICAL ANALYSIS student. And some of articles review.
It's data are from standard as well as notebook.
Various Computational Tools used in Drug DesignFirujAhmed2
Drug discovery is the process of identifying and developing new medications or drugs to treat diseases and improve human health. It involves a multidisciplinary approach that combines scientific research, experimentation, and testing to discover and create effective and safe pharmaceutical compounds.
Drug design, is the inventive process of finding new medications based on the knowledge of a biological target. The drug is most commonly an organic small molecule that activates or inhibits the function of a biomolecule such as a protein, which in turn results in a therapeutic benefit to the patient.
Drug Discovery path
Pharma R & D –overview
Discovery & Development
Preclinical research
Clinical Trial
NDA and FDA Approval
Post marketing data
References
DRUG DISCOVERY :TRADITIONAL VS RATIONAL DRUG DESIGNAADYARAJPANDEY1
Drug Discovery: is a process by which a drug candidate is identified and partially validated for treatment of specific disease.
Mechanism of action
Target identification/ validation
Lead identification / optimization
ADMET
PK/PD
It is a programmed process by which drug is discovered and designed
It is an intense lengthy process.
That means to bring out a drug from discovery to market , a pharmaceutical company requires 10 -15 years and upto 600-800 million dollars.
Modeling techniques for prediction of binding affinity are reasonably successful.
However there are many other properties such as bioavailability, metabolic half-life, lack of side effects, etc. that first must be optimized before a ligand can become a safe and efficacious drug.
These other characteristics are often difficult to optimize using rational drug design techniques.
Traditional drug design:
Traditional drug discovery involves the origin of drug discovery that is evolved from natural sources, acciuta events.
It was not target based and not much systemised as today
Improved and advancements in pharmaceutical science and technology made it evolutionised to much more systemize modern drug discovery
Traditional methods of drug discovery (known as forward pharmacology), which rely on trial-and-error testing of chemical substances on cultured cells or animals, and matching the apparent effects to treatments
Methods of Traditional drug design:
1.Random screening
2.Trial and error method
3.Ethnopharmacology approach
4.Serendipity method
Classical pharmacology
Chemical structure based drug discovery.
Random screening:It includes random screening of synthetic compounds or chemicals or on natural products by bioassay procedures. Involves two approaches:
1.Screening for selected class of compounds like alkaloids, flavonoids, etc
2. Screening of randomly selected plants for selected bioassays
Dedicated Random Screening:
Dedicated random screening is like natural product screening except that known. single compounds are tested at random in your biological assay screen.
It was in this fashion that Gerhard Domagk (IG Farbenindustrie, Germany, 1931) screened azo dyes (from the paint factory in which he worked) in the search for compounds with biological activity.
This led to the discovery of the first truly effective sulphonamide antibacterial Prontosil (a red dye) in 1935
Contribution of Random screening;
Later, the National Cancer Institute (NCI) of National Institute of Health, USA, studied about 35,000 plant species for anticancer activity, spending over two decades from 1960 to 1980.
It resulted in proving two success stories, which were those of paclitaxel and camptothecin
Trial n error method:
Trial and error method includes berries, roots, leaves and barks could be used for medicinal purposes to alleviate symptoms of illness.
Examples:
Willow bark -contains salicin -fever reducing in general
Cinchona bark - contains quinine – fever associated with malaria
Chinese
In silico drug designing is the drug design which can be carried out in silicon chip,i.e., within computers. The slides are helpful to know a brief description about in silico drug designing.
These simplified slides by Dr. Sidra Arshad present an overview of the non-respiratory functions of the respiratory tract.
Learning objectives:
1. Enlist the non-respiratory functions of the respiratory tract
2. Briefly explain how these functions are carried out
3. Discuss the significance of dead space
4. Differentiate between minute ventilation and alveolar ventilation
5. Describe the cough and sneeze reflexes
Study Resources:
1. Chapter 39, Guyton and Hall Textbook of Medical Physiology, 14th edition
2. Chapter 34, Ganong’s Review of Medical Physiology, 26th edition
3. Chapter 17, Human Physiology by Lauralee Sherwood, 9th edition
4. Non-respiratory functions of the lungs https://academic.oup.com/bjaed/article/13/3/98/278874
NVBDCP.pptx Nation vector borne disease control programSapna Thakur
NVBDCP was launched in 2003-2004 . Vector-Borne Disease: Disease that results from an infection transmitted to humans and other animals by blood-feeding arthropods, such as mosquitoes, ticks, and fleas. Examples of vector-borne diseases include Dengue fever, West Nile Virus, Lyme disease, and malaria.
Title: Sense of Smell
Presenter: Dr. Faiza, Assistant Professor of Physiology
Qualifications:
MBBS (Best Graduate, AIMC Lahore)
FCPS Physiology
ICMT, CHPE, DHPE (STMU)
MPH (GC University, Faisalabad)
MBA (Virtual University of Pakistan)
Learning Objectives:
Describe the primary categories of smells and the concept of odor blindness.
Explain the structure and location of the olfactory membrane and mucosa, including the types and roles of cells involved in olfaction.
Describe the pathway and mechanisms of olfactory signal transmission from the olfactory receptors to the brain.
Illustrate the biochemical cascade triggered by odorant binding to olfactory receptors, including the role of G-proteins and second messengers in generating an action potential.
Identify different types of olfactory disorders such as anosmia, hyposmia, hyperosmia, and dysosmia, including their potential causes.
Key Topics:
Olfactory Genes:
3% of the human genome accounts for olfactory genes.
400 genes for odorant receptors.
Olfactory Membrane:
Located in the superior part of the nasal cavity.
Medially: Folds downward along the superior septum.
Laterally: Folds over the superior turbinate and upper surface of the middle turbinate.
Total surface area: 5-10 square centimeters.
Olfactory Mucosa:
Olfactory Cells: Bipolar nerve cells derived from the CNS (100 million), with 4-25 olfactory cilia per cell.
Sustentacular Cells: Produce mucus and maintain ionic and molecular environment.
Basal Cells: Replace worn-out olfactory cells with an average lifespan of 1-2 months.
Bowman’s Gland: Secretes mucus.
Stimulation of Olfactory Cells:
Odorant dissolves in mucus and attaches to receptors on olfactory cilia.
Involves a cascade effect through G-proteins and second messengers, leading to depolarization and action potential generation in the olfactory nerve.
Quality of a Good Odorant:
Small (3-20 Carbon atoms), volatile, water-soluble, and lipid-soluble.
Facilitated by odorant-binding proteins in mucus.
Membrane Potential and Action Potential:
Resting membrane potential: -55mV.
Action potential frequency in the olfactory nerve increases with odorant strength.
Adaptation Towards the Sense of Smell:
Rapid adaptation within the first second, with further slow adaptation.
Psychological adaptation greater than receptor adaptation, involving feedback inhibition from the central nervous system.
Primary Sensations of Smell:
Camphoraceous, Musky, Floral, Pepperminty, Ethereal, Pungent, Putrid.
Odor Detection Threshold:
Examples: Hydrogen sulfide (0.0005 ppm), Methyl-mercaptan (0.002 ppm).
Some toxic substances are odorless at lethal concentrations.
Characteristics of Smell:
Odor blindness for single substances due to lack of appropriate receptor protein.
Behavioral and emotional influences of smell.
Transmission of Olfactory Signals:
From olfactory cells to glomeruli in the olfactory bulb, involving lateral inhibition.
Primitive, less old, and new olfactory systems with different path
New Directions in Targeted Therapeutic Approaches for Older Adults With Mantl...i3 Health
i3 Health is pleased to make the speaker slides from this activity available for use as a non-accredited self-study or teaching resource.
This slide deck presented by Dr. Kami Maddocks, Professor-Clinical in the Division of Hematology and
Associate Division Director for Ambulatory Operations
The Ohio State University Comprehensive Cancer Center, will provide insight into new directions in targeted therapeutic approaches for older adults with mantle cell lymphoma.
STATEMENT OF NEED
Mantle cell lymphoma (MCL) is a rare, aggressive B-cell non-Hodgkin lymphoma (NHL) accounting for 5% to 7% of all lymphomas. Its prognosis ranges from indolent disease that does not require treatment for years to very aggressive disease, which is associated with poor survival (Silkenstedt et al, 2021). Typically, MCL is diagnosed at advanced stage and in older patients who cannot tolerate intensive therapy (NCCN, 2022). Although recent advances have slightly increased remission rates, recurrence and relapse remain very common, leading to a median overall survival between 3 and 6 years (LLS, 2021). Though there are several effective options, progress is still needed towards establishing an accepted frontline approach for MCL (Castellino et al, 2022). Treatment selection and management of MCL are complicated by the heterogeneity of prognosis, advanced age and comorbidities of patients, and lack of an established standard approach for treatment, making it vital that clinicians be familiar with the latest research and advances in this area. In this activity chaired by Michael Wang, MD, Professor in the Department of Lymphoma & Myeloma at MD Anderson Cancer Center, expert faculty will discuss prognostic factors informing treatment, the promising results of recent trials in new therapeutic approaches, and the implications of treatment resistance in therapeutic selection for MCL.
Target Audience
Hematology/oncology fellows, attending faculty, and other health care professionals involved in the treatment of patients with mantle cell lymphoma (MCL).
Learning Objectives
1.) Identify clinical and biological prognostic factors that can guide treatment decision making for older adults with MCL
2.) Evaluate emerging data on targeted therapeutic approaches for treatment-naive and relapsed/refractory MCL and their applicability to older adults
3.) Assess mechanisms of resistance to targeted therapies for MCL and their implications for treatment selection
263778731218 Abortion Clinic /Pills In Harare ,sisternakatoto
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Ethanol (CH3CH2OH), or beverage alcohol, is a two-carbon alcohol
that is rapidly distributed in the body and brain. Ethanol alters many
neurochemical systems and has rewarding and addictive properties. It
is the oldest recreational drug and likely contributes to more morbidity,
mortality, and public health costs than all illicit drugs combined. The
5th edition of the Diagnostic and Statistical Manual of Mental Disorders
(DSM-5) integrates alcohol abuse and alcohol dependence into a single
disorder called alcohol use disorder (AUD), with mild, moderate,
and severe subclassifications (American Psychiatric Association, 2013).
In the DSM-5, all types of substance abuse and dependence have been
combined into a single substance use disorder (SUD) on a continuum
from mild to severe. A diagnosis of AUD requires that at least two of
the 11 DSM-5 behaviors be present within a 12-month period (mild
AUD: 2–3 criteria; moderate AUD: 4–5 criteria; severe AUD: 6–11 criteria).
The four main behavioral effects of AUD are impaired control over
drinking, negative social consequences, risky use, and altered physiological
effects (tolerance, withdrawal). This chapter presents an overview
of the prevalence and harmful consequences of AUD in the U.S.,
the systemic nature of the disease, neurocircuitry and stages of AUD,
comorbidities, fetal alcohol spectrum disorders, genetic risk factors, and
pharmacotherapies for AUD.
- Video recording of this lecture in English language: https://youtu.be/lK81BzxMqdo
- Video recording of this lecture in Arabic language: https://youtu.be/Ve4P0COk9OI
- Link to download the book free: https://nephrotube.blogspot.com/p/nephrotube-nephrology-books.html
- Link to NephroTube website: www.NephroTube.com
- Link to NephroTube social media accounts: https://nephrotube.blogspot.com/p/join-nephrotube-on-social-media.html
New Drug Discovery and Development .....NEHA GUPTA
The "New Drug Discovery and Development" process involves the identification, design, testing, and manufacturing of novel pharmaceutical compounds with the aim of introducing new and improved treatments for various medical conditions. This comprehensive endeavor encompasses various stages, including target identification, preclinical studies, clinical trials, regulatory approval, and post-market surveillance. It involves multidisciplinary collaboration among scientists, researchers, clinicians, regulatory experts, and pharmaceutical companies to bring innovative therapies to market and address unmet medical needs.
Recomendações da OMS sobre cuidados maternos e neonatais para uma experiência pós-natal positiva.
Em consonância com os ODS – Objetivos do Desenvolvimento Sustentável e a Estratégia Global para a Saúde das Mulheres, Crianças e Adolescentes, e aplicando uma abordagem baseada nos direitos humanos, os esforços de cuidados pós-natais devem expandir-se para além da cobertura e da simples sobrevivência, de modo a incluir cuidados de qualidade.
Estas diretrizes visam melhorar a qualidade dos cuidados pós-natais essenciais e de rotina prestados às mulheres e aos recém-nascidos, com o objetivo final de melhorar a saúde e o bem-estar materno e neonatal.
Uma “experiência pós-natal positiva” é um resultado importante para todas as mulheres que dão à luz e para os seus recém-nascidos, estabelecendo as bases para a melhoria da saúde e do bem-estar a curto e longo prazo. Uma experiência pós-natal positiva é definida como aquela em que as mulheres, pessoas que gestam, os recém-nascidos, os casais, os pais, os cuidadores e as famílias recebem informação consistente, garantia e apoio de profissionais de saúde motivados; e onde um sistema de saúde flexível e com recursos reconheça as necessidades das mulheres e dos bebês e respeite o seu contexto cultural.
Estas diretrizes consolidadas apresentam algumas recomendações novas e já bem fundamentadas sobre cuidados pós-natais de rotina para mulheres e neonatos que recebem cuidados no pós-parto em unidades de saúde ou na comunidade, independentemente dos recursos disponíveis.
É fornecido um conjunto abrangente de recomendações para cuidados durante o período puerperal, com ênfase nos cuidados essenciais que todas as mulheres e recém-nascidos devem receber, e com a devida atenção à qualidade dos cuidados; isto é, a entrega e a experiência do cuidado recebido. Estas diretrizes atualizam e ampliam as recomendações da OMS de 2014 sobre cuidados pós-natais da mãe e do recém-nascido e complementam as atuais diretrizes da OMS sobre a gestão de complicações pós-natais.
O estabelecimento da amamentação e o manejo das principais intercorrências é contemplada.
Recomendamos muito.
Vamos discutir essas recomendações no nosso curso de pós-graduação em Aleitamento no Instituto Ciclos.
Esta publicação só está disponível em inglês até o momento.
Prof. Marcus Renato de Carvalho
www.agostodourado.com
Tom Selleck Health: A Comprehensive Look at the Iconic Actor’s Wellness Journeygreendigital
Tom Selleck, an enduring figure in Hollywood. has captivated audiences for decades with his rugged charm, iconic moustache. and memorable roles in television and film. From his breakout role as Thomas Magnum in Magnum P.I. to his current portrayal of Frank Reagan in Blue Bloods. Selleck's career has spanned over 50 years. But beyond his professional achievements. fans have often been curious about Tom Selleck Health. especially as he has aged in the public eye.
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Introduction
Many have been interested in Tom Selleck health. not only because of his enduring presence on screen but also because of the challenges. and lifestyle choices he has faced and made over the years. This article delves into the various aspects of Tom Selleck health. exploring his fitness regimen, diet, mental health. and the challenges he has encountered as he ages. We'll look at how he maintains his well-being. the health issues he has faced, and his approach to ageing .
Early Life and Career
Childhood and Athletic Beginnings
Tom Selleck was born on January 29, 1945, in Detroit, Michigan, and grew up in Sherman Oaks, California. From an early age, he was involved in sports, particularly basketball. which played a significant role in his physical development. His athletic pursuits continued into college. where he attended the University of Southern California (USC) on a basketball scholarship. This early involvement in sports laid a strong foundation for his physical health and disciplined lifestyle.
Transition to Acting
Selleck's transition from an athlete to an actor came with its physical demands. His first significant role in "Magnum P.I." required him to perform various stunts and maintain a fit appearance. This role, which he played from 1980 to 1988. necessitated a rigorous fitness routine to meet the show's demands. setting the stage for his long-term commitment to health and wellness.
Fitness Regimen
Workout Routine
Tom Selleck health and fitness regimen has evolved. adapting to his changing roles and age. During his "Magnum, P.I." days. Selleck's workouts were intense and focused on building and maintaining muscle mass. His routine included weightlifting, cardiovascular exercises. and specific training for the stunts he performed on the show.
Selleck adjusted his fitness routine as he aged to suit his body's needs. Today, his workouts focus on maintaining flexibility, strength, and cardiovascular health. He incorporates low-impact exercises such as swimming, walking, and light weightlifting. This balanced approach helps him stay fit without putting undue strain on his joints and muscles.
Importance of Flexibility and Mobility
In recent years, Selleck has emphasized the importance of flexibility and mobility in his fitness regimen. Understanding the natural decline in muscle mass and joint flexibility with age. he includes stretching and yoga in his routine. These practices help prevent injuries, improve posture, and maintain mobilit
Flu Vaccine Alert in Bangalore Karnatakaaddon Scans
As flu season approaches, health officials in Bangalore, Karnataka, are urging residents to get their flu vaccinations. The seasonal flu, while common, can lead to severe health complications, particularly for vulnerable populations such as young children, the elderly, and those with underlying health conditions.
Dr. Vidisha Kumari, a leading epidemiologist in Bangalore, emphasizes the importance of getting vaccinated. "The flu vaccine is our best defense against the influenza virus. It not only protects individuals but also helps prevent the spread of the virus in our communities," he says.
This year, the flu season is expected to coincide with a potential increase in other respiratory illnesses. The Karnataka Health Department has launched an awareness campaign highlighting the significance of flu vaccinations. They have set up multiple vaccination centers across Bangalore, making it convenient for residents to receive their shots.
To encourage widespread vaccination, the government is also collaborating with local schools, workplaces, and community centers to facilitate vaccination drives. Special attention is being given to ensuring that the vaccine is accessible to all, including marginalized communities who may have limited access to healthcare.
Residents are reminded that the flu vaccine is safe and effective. Common side effects are mild and may include soreness at the injection site, mild fever, or muscle aches. These side effects are generally short-lived and far less severe than the flu itself.
Healthcare providers are also stressing the importance of continuing COVID-19 precautions. Wearing masks, practicing good hand hygiene, and maintaining social distancing are still crucial, especially in crowded places.
Protect yourself and your loved ones by getting vaccinated. Together, we can help keep Bangalore healthy and safe this flu season. For more information on vaccination centers and schedules, residents can visit the Karnataka Health Department’s official website or follow their social media pages.
Stay informed, stay safe, and get your flu shot today!
TEST BANK for Operations Management, 14th Edition by William J. Stevenson, Ve...kevinkariuki227
TEST BANK for Operations Management, 14th Edition by William J. Stevenson, Verified Chapters 1 - 19, Complete Newest Version.pdf
TEST BANK for Operations Management, 14th Edition by William J. Stevenson, Verified Chapters 1 - 19, Complete Newest Version.pdf
TEST BANK for Operations Management, 14th Edition by William J. Stevenson, Ve...
Drug design and development
1.
2.
3. Drug Design, Discovery and
Development
Saffron Pharmaceuticals (Pvt.) Ltd.
19 Km. Sheikhupura Road, Faisalabad-Pakistan.
• Presented by:
Dr. Yasir Mehmood
PhD Pharmaceutics,
MBA (Health
management)
• Head QA & VIRAC
6. Lead compound
• A lead Compound is also known as a
parent compound.
• A lead compound is a compound having
a particular biological activity obtained
either from natural or synthetic source.
• E.g. Penicillin G, Prontosil
7. Drug design
Drug design may be defined as an effort to develop
a drug by molecular modification of lead compound
for optimization of desired effects and minimization
of side effects
8. 1. Choose a disease
2. Choose a drug target
3. Identify a bioassay
5. Isolate and purify the
lead compound if
necessary
4. Find a ‘lead compound’
8. Identify the
pharmacophore
7. Identify structure-
activity relationships
(SARs)
6. Determine the
structure of the lead
compound
9. Improve target
interactions
Stages required in drug design and drug discovery
9. 1. Rational Drug Design
2. Computer-assisted
Drug Design (CADD)
3. Neural network in Drug
Design
Types of drug design
10. 1-Rationale drug design
In contrast to traditional method of drug
discovery, which relay on trial and error testing
of chemical substances on cultured cells or
animals and matching the apparent effect of
treatment, rationale drug design begins with the
hypothesis that modulation of specific biologic
targets may have therapeutic value
It is a process in which finding a new
medication bases on knowledge of biological
target is done. It involves design of small
molecule that are complementary in shape and
charge to biomolecular targets
11. 2-Computer-aided drug
design
CADD represents computational
methods and resources that are used
to facilitate the design and discovery
of new therapeutic solutions.
12. 1
Hit identification using virtual
screening (structure- or ligand-
based design)
2
Hit-to-lead optimization of
affinity and selectivity (structure-
based design, QSAR, etc.)
3 Lead optimization: optimization
of other pharmaceutical
properties while maintaining
affinity
Drug design with the help
of computers may be used
at any of the following
stages of drug discovery:
2- Introduction to CADD
14. 3D models of membrane receptors can be refined and validated
in a realistic lipid- water-salt environment using molecular
dynamics simulations
15. 01
02
03
Data from virtual screening
can be used to develop
predictive models in order to
optimize ADMET properties
of the candidate molecules
The ultimate goal of this
procedure is to find investing
lead molecules that are worth
for further drug research and
synthesis
Virtual screening is a
computational technique
to find novel drug
candidates
Applications of computer-aided
drug design
16. • InSilicoisanexpressionusedto mean“performed
oncomputer or viacomputer simulation.”
• In Silico drug designing is defined as the
identification of the drug target molecule by
employingbioinformatics tools.
In silico drug designing
17. 1- Ligand base drug
designing
2- Structure-based Drug
Design
Types of in silico drug designing
18. Ligandbaseddrugdesign
• Ligand-baseddrug designrelies on
knowledgeof other moleculesthat bind to
the biological target ofinterest
• Used to derive a pharmacophore
Atom
based
Atom based + atom-typing
(Atomic, elemental,
pharmacophore like)
Pharmacophore
feature
19. TRADITIONAL DRUG DESIGN
(Pharmacophore-based drug design)
Lead generation:
Natural ligand / Screening
Biological Testing
Synthesis of New
Compounds by molecular
modification of leads
Drug Design Cycle
If promising
Pre-Clinical Studies
21. Structure-based Drug Design (SBDD) or
Target-based approach
Molecular Biology & Protein Chemistry
3D Structure Determination of Target
and Target-Ligand Complex
Modelling
Structure Analysis
and Compound Design
Biological Testing
Synthesis of New Compounds
If promising
Pre-Clinical
Studies
Drug Design Cycle
Natural ligand / Screening
26. 01 02 03
This is the most latest
technique being
applied to discover
new drugs. It works
on the same
principles as the
neural networks
found in the human
brain
This technique
makes use of
Computer Artificial
Intelligence, whereby
a computer learns by
itself, how to
approach a target
drug molecule and
improves its iterations
by itself
This technique can
be applied to solve
complex drug
calculations. Desktop
computers as well as
Super-Computers
both are employed for
Neural Networks
Drug research
3- Neural network in Drug Design
28. A patient with infection (intestinal parasite) was
supposed to be given Napthalone. But he was
given accidentally acetanilide, and fever of the
patient was reduced. Thus, acetanilide was
accidentally discovered as an antipyretic agent.
However, now a day, it is not used as antipyretic
due to its nephro toxicity
Acetanilide as Antipyretic
The antibacterial action was introduced
accidentally by Flemming in 1920 while he was
working with a bacterial culture, the culture was
contaminated with penicillium fungi, which
destroyed the cultured bacteria in the medium. In
further stage, the active component penicillin was
isolated form the respective fungi
Penicillin as Antibiotic
Serendipity
29. It is an effort to produce new drug
molecules from a lead compound
by applying variety of approaches
of design. Drug design
approach is the prerequisite for
drug discovery
Drug discovery
30. History of drug discovery
Pre 1919
• Herbal Drugs
• Serendiptious
discoveries
1920s, 30s
• Vitamins
• Vaccines
1940s
• Antibiotic Era
• R&D Boost due to
WW2
1950s
• New technology,
• Discovery of DNA
1960s
• Breakthrough in
Etiology
1970s
• Rise of
Biotechnology
• Use of IT
1980s
• Commercialization of
Drug Discovery
• Combinatorial
Chemistry
1990s
• Robotics
• Automation
33. Drug Development
Drug development or preclinical development
is defined in many pharmaceutical companies
as the process of taking a new chemical lead
through the stages necessary to allow it to be
tested in human clinical trials, although a
broader definition would encompass the
entire process of drug discovery and clinical
testing of novel drug candidates.
33
19 March 2009
34. Pharmaceutical development
•
– The aim of pharmaceutical development is to design a quality product
and its manufacturing process to consistently deliver the intended
performance of the product.
– Scope:
• Drug product submission for marketing authorisation
• Not: pharmacy-prepared drug products
• Not: IMPs
34
ICH Q8 (R2) (EMEA/CHMP/167068/2004)
35. Development policy
• Develop local "pharmaceutical development procedure"
• This procedure should cover:
– scope
• magistral or officinal preparations - reconstitution
– pharmacotherapeutic aspects
– technological aspects
– product file & review & approval
– clinical evaluation
– Product Quality Review
35
37. Stomach
pH2
Intestine
pH3-8
PV
Blood Kidneys Tissues Cell
Target
Stability
Acidic
enzymatic
buffer
Solubility
pKa
Stability
CYP3A
metabolic
stability
Permeability
Passive
P-gp efflux
Transportes Log
Liver
Phase I and II
Metabolic
stability
Metabolite ID Protein
binding RBC
uptake
Stability
Enzymatic
Plasma
stability
37
Renal
Extraction
Log D
Permeability
Passive
Transporters
Log D
Cell Exposure
Barriers of Drug Reaching Target
Stability
Acidic
buffer
38. Candidate Selection: Building “Developability” in
Preclinical Profiling
Lead (active
molecule)
Metabolism
Selectivity
Potency
(optimized molecule)
Physical properties
Potency
Selectivity
Metabolism
Best leads
Physical / chemical
properties
Biopharmaceutics
39. 1- Integrity
8- Polymorphism
4- Log D
5-pKa
3- Permeability
6-Stability
2- Solubility
7- Lipophilicity
Lorem Ipsum
Physico-chemical profile of NCEs
40. Drug Delivery
40
19 March 2009 KLE College of Pharmacy, Belgaum
Drug delivery is the method or process of administering a
pharmaceutical compound to achieve a therapeutic effect
in humans or animals
Drug Delivery technologies are patent protected
formulation technologies that modifies drug release
profile, absorption, distribution and elimination for the
benefit of improving product efficacy & safety and patient
convenience & compliance
41. Drug Delivery
Drug delivery is the method or
process of administering a
pharmaceutical compound to
achieve a therapeutic effect in
humans or animals
42. Veginal DDS 06
Buccal DDS
08
Nasal DDS 04
Topical
DDS 03
Oral DDS 01
LOREM
IPSUM
LOREM
IPSUM
Drug Delivery Systems