Traditional drug design involved origins from natural sources through accidental discoveries, not based on specific targets. Methods included random screening, trial and error using plant materials, ethnopharmacology observing indigenous drug uses, and serendipitous discoveries like penicillin. Rational drug design is target-based, using the known structure and function of targets. Methods include ligand-based approaches like quantitative structure-activity relationships (QSAR) and pharmacophore modeling, and structure-based approaches like molecular docking and de novo design using a target's 3D structure. Both traditional and rational methods have contributed to modern drug discovery.
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.
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.
Target identification, target validation, lead identification and lead
Optimization.
• Economics of drug discovery.
• Target Discovery and validation-Role of Genomics, Proteomics and
Bioinformatics.
• Role of Nucleic acid microarrays, Protein microarrays, Antisense
technologies, siRNAs, antisense oligonucleotides, Zinc finger proteins.
• Role of transgenic animals in target validation.
molecular docking its types and de novo drug design and application and softw...GAUTAM KHUNE
This ppt deals with all the aspects related to molecular docking ,its types(rigid ,flexible and manual) and screening based on it and also deals with de novo drug design , various softwares available for docking methodologies and applications for molecular docking in new drug design
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.
Target Validation
Introduction,Drug discovery, Target identification and validation, Target validation and techniques
By
Ms. B. Mary Vishali
Department of Pharmacology
Role of nuclicacid microarray &protein micro array for drug discovery processmohamed abusalih
role of nuclic acid microarray and protein microarray for drug discovery process
1.introduction about microarray technique and genomics
2.process of drug discovery
3.microarray techiques
4.microarray analysis in drug discovery
5.steps involved in the micro array analysis
RATIONAL AND TRADITIONAL DRUG DESIGN Drug Discovery.pptxsakshinalkande
It's one of the topic of subject Principle Drug Discovery include in M pharm Pharmacology 2nd sem. It include introduction about rational and traditional drug design with types and methods. It'll be beneficial for M pharm Pharmacology students.
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
Target identification, target validation, lead identification and lead
Optimization.
• Economics of drug discovery.
• Target Discovery and validation-Role of Genomics, Proteomics and
Bioinformatics.
• Role of Nucleic acid microarrays, Protein microarrays, Antisense
technologies, siRNAs, antisense oligonucleotides, Zinc finger proteins.
• Role of transgenic animals in target validation.
molecular docking its types and de novo drug design and application and softw...GAUTAM KHUNE
This ppt deals with all the aspects related to molecular docking ,its types(rigid ,flexible and manual) and screening based on it and also deals with de novo drug design , various softwares available for docking methodologies and applications for molecular docking in new drug design
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.
Target Validation
Introduction,Drug discovery, Target identification and validation, Target validation and techniques
By
Ms. B. Mary Vishali
Department of Pharmacology
Role of nuclicacid microarray &protein micro array for drug discovery processmohamed abusalih
role of nuclic acid microarray and protein microarray for drug discovery process
1.introduction about microarray technique and genomics
2.process of drug discovery
3.microarray techiques
4.microarray analysis in drug discovery
5.steps involved in the micro array analysis
RATIONAL AND TRADITIONAL DRUG DESIGN Drug Discovery.pptxsakshinalkande
It's one of the topic of subject Principle Drug Discovery include in M pharm Pharmacology 2nd sem. It include introduction about rational and traditional drug design with types and methods. It'll be beneficial for M pharm Pharmacology students.
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
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
this presentation is on topic reverse pharmacology which deals with the study from bedside to bench side. it is also aka target-based drug discovery (TDD)
Biological screening of herbal drugs: Introduction and Need for
Phyto-Pharmacological Screening, New Strategies for evaluating
Natural Products, In vitro evaluation techniques for Antioxidants, Antimicrobial and Anticancer drugs. In vivo evaluation techniques
for Anti-inflammatory, Antiulcer, Anticancer, Wound healing, Antidiabetic, Hepatoprotective, Cardio protective, Diuretics and
Antifertility, Toxicity studies as per OECD guidelines
Topic explained as a M.Sc. Microbiology Student point of you. It contains general Properties of drug, its discovery process and Rational Drug Design Process using Bioinformatic Tools.
Ozempic: Preoperative Management of Patients on GLP-1 Receptor Agonists Saeid Safari
Preoperative Management of Patients on GLP-1 Receptor Agonists like Ozempic and Semiglutide
ASA GUIDELINE
NYSORA Guideline
2 Case Reports of Gastric Ultrasound
Couples presenting to the infertility clinic- Do they really have infertility...Sujoy Dasgupta
Dr Sujoy Dasgupta presented the study on "Couples presenting to the infertility clinic- Do they really have infertility? – The unexplored stories of non-consummation" in the 13th Congress of the Asia Pacific Initiative on Reproduction (ASPIRE 2024) at Manila on 24 May, 2024.
Acute scrotum is a general term referring to an emergency condition affecting the contents or the wall of the scrotum.
There are a number of conditions that present acutely, predominantly with pain and/or swelling
A careful and detailed history and examination, and in some cases, investigations allow differentiation between these diagnoses. A prompt diagnosis is essential as the patient may require urgent surgical intervention
Testicular torsion refers to twisting of the spermatic cord, causing ischaemia of the testicle.
Testicular torsion results from inadequate fixation of the testis to the tunica vaginalis producing ischemia from reduced arterial inflow and venous outflow obstruction.
The prevalence of testicular torsion in adult patients hospitalized with acute scrotal pain is approximately 25 to 50 percent
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!
ARTIFICIAL INTELLIGENCE IN HEALTHCARE.pdfAnujkumaranit
Artificial intelligence (AI) refers to the simulation of human intelligence processes by machines, especially computer systems. It encompasses tasks such as learning, reasoning, problem-solving, perception, and language understanding. AI technologies are revolutionizing various fields, from healthcare to finance, by enabling machines to perform tasks that typically require human intelligence.
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
micro teaching on communication m.sc nursing.pdfAnurag Sharma
Microteaching is a unique model of practice teaching. It is a viable instrument for the. desired change in the teaching behavior or the behavior potential which, in specified types of real. classroom situations, tends to facilitate the achievement of specified types of objectives.
These lecture slides, by Dr Sidra Arshad, offer a quick overview of physiological basis of a normal electrocardiogram.
Learning objectives:
1. Define an electrocardiogram (ECG) and electrocardiography
2. Describe how dipoles generated by the heart produce the waveforms of the ECG
3. Describe the components of a normal electrocardiogram of a typical bipolar leads (limb II)
4. Differentiate between intervals and segments
5. Enlist some common indications for obtaining an ECG
Study Resources:
1. Chapter 11, Guyton and Hall Textbook of Medical Physiology, 14th edition
2. Chapter 9, Human Physiology - From Cells to Systems, Lauralee Sherwood, 9th edition
3. Chapter 29, Ganong’s Review of Medical Physiology, 26th edition
4. Electrocardiogram, StatPearls - https://www.ncbi.nlm.nih.gov/books/NBK549803/
5. ECG in Medical Practice by ABM Abdullah, 4th edition
6. ECG Basics, http://www.nataliescasebook.com/tag/e-c-g-basics
Lung Cancer: Artificial Intelligence, Synergetics, Complex System Analysis, S...Oleg Kshivets
RESULTS: Overall life span (LS) was 2252.1±1742.5 days and cumulative 5-year survival (5YS) reached 73.2%, 10 years – 64.8%, 20 years – 42.5%. 513 LCP lived more than 5 years (LS=3124.6±1525.6 days), 148 LCP – more than 10 years (LS=5054.4±1504.1 days).199 LCP died because of LC (LS=562.7±374.5 days). 5YS of LCP after bi/lobectomies was significantly superior in comparison with LCP after pneumonectomies (78.1% vs.63.7%, P=0.00001 by log-rank test). AT significantly improved 5YS (66.3% vs. 34.8%) (P=0.00000 by log-rank test) only for LCP with N1-2. Cox modeling displayed that 5YS of LCP significantly depended on: phase transition (PT) early-invasive LC in terms of synergetics, PT N0—N12, cell ratio factors (ratio between cancer cells- CC and blood cells subpopulations), G1-3, histology, glucose, AT, blood cell circuit, prothrombin index, heparin tolerance, recalcification time (P=0.000-0.038). Neural networks, genetic algorithm selection and bootstrap simulation revealed relationships between 5YS and PT early-invasive LC (rank=1), PT N0—N12 (rank=2), thrombocytes/CC (3), erythrocytes/CC (4), eosinophils/CC (5), healthy cells/CC (6), lymphocytes/CC (7), segmented neutrophils/CC (8), stick neutrophils/CC (9), monocytes/CC (10); leucocytes/CC (11). Correct prediction of 5YS was 100% by neural networks computing (area under ROC curve=1.0; error=0.0).
CONCLUSIONS: 5YS of LCP after radical procedures significantly depended on: 1) PT early-invasive cancer; 2) PT N0--N12; 3) cell ratio factors; 4) blood cell circuit; 5) biochemical factors; 6) hemostasis system; 7) AT; 8) LC characteristics; 9) LC cell dynamics; 10) surgery type: lobectomy/pneumonectomy; 11) anthropometric data. Optimal diagnosis and treatment strategies for LC are: 1) screening and early detection of LC; 2) availability of experienced thoracic surgeons because of complexity of radical procedures; 3) aggressive en block surgery and adequate lymph node dissection for completeness; 4) precise prediction; 5) adjuvant chemoimmunoradiotherapy for LCP with unfavorable prognosis.
Prix Galien International 2024 Forum ProgramLevi Shapiro
June 20, 2024, Prix Galien International and Jerusalem Ethics Forum in ROME. Detailed agenda including panels:
- ADVANCES IN CARDIOLOGY: A NEW PARADIGM IS COMING
- WOMEN’S HEALTH: FERTILITY PRESERVATION
- WHAT’S NEW IN THE TREATMENT OF INFECTIOUS,
ONCOLOGICAL AND INFLAMMATORY SKIN DISEASES?
- ARTIFICIAL INTELLIGENCE AND ETHICS
- GENE THERAPY
- BEYOND BORDERS: GLOBAL INITIATIVES FOR DEMOCRATIZING LIFE SCIENCE TECHNOLOGIES AND PROMOTING ACCESS TO HEALTHCARE
- ETHICAL CHALLENGES IN LIFE SCIENCES
- Prix Galien International Awards Ceremony
2. Traditional Drug Designing
• Traditional drug discovery involves the origin of
drug discovery that evolved in natural sources,
accidental events etc.
• It was not target based and not much systemised as
today.
• Improvement and advancement in pharmaceutical
science and technology made it evolutionised to
much more systemised modern drug discovery.
3. Methods of Traditional drug design
1. Random Screening
2. Trial & Error Method
3. EthnoPharmacology Approach
4. Serendipity Method
5. Classical Pharmacology
4. 1. Random Screening
It includes random screening of synthetic
compounds/chemicals/natural products by
bioassay procedures.
It involves two approaches:-
a) Screening of selected class of compounds like
alkaloids, flavonoids etc.
b) Screening of randomly selected plants.
CDRI of CSIR of India screened almost 2000
plants for biological efficacy with random
screening.
5. 2. Trial & Error Method
Trial and error includes berries, roots, leaves and
barks that could be used for medicinal purposes.
Examples:-
• Cinchona Bark contains quinine used to reduce
fever in malaria.
• Leaves of Azadirachta indica (Neem) are used as
anti-inflammatory and antibacterial properties etc.
• Licorice roots are traditionally used to treat
stomach ulcers, bronchitis and sore throats.
6. 3. Ethnopharmacology approach
Ethnopharmacology is the study of medicinal
plants used in specific cultural groups.
It involves the observation, description, and
experimental investigation of indigenous drugs.
It is based on botany, chemistry, biochemistry,
pharmacology and many other disciplines like
anthropology, archeology, and history.
Andrographis paniculata (Kalmegh) was used
for dysentery in ethnomedicine and the
compounds responsible for the activity were
found to be andrographolides.
7. 4. Serendipity Method
“Serendipity” refers to ‘an accidental discovery’
i.e, ‘finding one thing while looking for
something else’
The most important example of this method is
the discovery of Penicillin by Alexander Fleming
in 1928 while doing research on influenza.
One more example is the discovery of Cisplatin
(used in bladder cancer) while studying E.coli
bacteria.
8. 5. Classical Pharmacology
Also known as Function based approach.
Without the prior identification of drug target.
Anciently, drug discovery processes were often
based on measuring a complex response in-vivo
such as
i) Prevention of experimentally induced seizures
ii) Lowering of blood sugar
iii) Suppression of inflammatory response
Example:- Discovery of Foxglove in Europe
9. Rational Drug Designing
Rational drug design can be broadly divided into
two categories :-
A. Development of molecules with desired
properties for targets having known structure
and function
B. Development of molecules with predefined
properties for targets whose structural
information may be or may not be known. The
unknown target information can be found by
Global gene expression data.
10. Methods for Rational drug design
Two major types :-
1) Ligand Based Drug Designing
a) QSAR
b) Pharmacophore Perception
2) Structure Based Drug Designing
a) Docking
b) De novo drug design
11. 1) Ligand Based Drug Designing
It relies on the knowledge of other molecules that
bind to the biological target of interest.
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
molecules.
In QSAR, biological activity is determined from the
physico-chemical properties of drug. So these
QSAR relationships in turn used in the prediction of
biological activity of new analogues.
Biological Activity = f (Physico-chemical properties )
12. 2) Structure Based Drug Designing
It relies on the knowledge of 3D structure of
the biological target.
3D Structure is obtained by either X-Ray
crystallography or NMR spectroscopy.
Using the structure of receptor, candidate
drugs that are predicted to bind with high
affinity and selectivity to the target may be
designed.