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.
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.
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.
Drug discovery take years to decade for discovering a new drug and very costly
Effort to cut down the research timeline and cost by reducing wet-lab experiment use computer modeling
Others have done the work. Some have used the work. I have spoken only on behalf of their behalf.
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 Role of Bioinformatics in The Drug Discovery ProcessAdebowale Qazeem
The Role of Bioinformatics in The Drug Discovery Process, is an undergraduate seminar presentation in the department of Biochemistry, Faculty of life Sciences, University of Ilorin, Ilorin.
A genome is an organism’s complete set of DNA or complete genetic makeup, The entire DNA complement. It describes the identity and the sequence of genes of an organism.
Genomics is the study of entire genomes(structure, function, evolution, mapping, and editing of genomes)
Executing the sequencing and analysis of entire human genome enables more rapid and effective identification of disease associated genes and provide drug companies with pre validated targets.
Proteomics is the systematic high-throughput separation and characterization of proteins within biological systems./ large scale study of protein and their functions.
Proteomics measures protein expression directly, not via gene expression, thus achieving better accuracy. Current work uses 2-dimensional polyacrylamide gel electrophoresis(2D- PAGE) and mass spectrometry.
New separation and characterization technologies, such as protein microarray and high throughput chromatography are being developed.
it will help you to understand how the protein microarrays are made, what are the different types and what all purposes they are used for. its very useful ppt
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.
Drug discovery take years to decade for discovering a new drug and very costly
Effort to cut down the research timeline and cost by reducing wet-lab experiment use computer modeling
Others have done the work. Some have used the work. I have spoken only on behalf of their behalf.
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 Role of Bioinformatics in The Drug Discovery ProcessAdebowale Qazeem
The Role of Bioinformatics in The Drug Discovery Process, is an undergraduate seminar presentation in the department of Biochemistry, Faculty of life Sciences, University of Ilorin, Ilorin.
A genome is an organism’s complete set of DNA or complete genetic makeup, The entire DNA complement. It describes the identity and the sequence of genes of an organism.
Genomics is the study of entire genomes(structure, function, evolution, mapping, and editing of genomes)
Executing the sequencing and analysis of entire human genome enables more rapid and effective identification of disease associated genes and provide drug companies with pre validated targets.
Proteomics is the systematic high-throughput separation and characterization of proteins within biological systems./ large scale study of protein and their functions.
Proteomics measures protein expression directly, not via gene expression, thus achieving better accuracy. Current work uses 2-dimensional polyacrylamide gel electrophoresis(2D- PAGE) and mass spectrometry.
New separation and characterization technologies, such as protein microarray and high throughput chromatography are being developed.
it will help you to understand how the protein microarrays are made, what are the different types and what all purposes they are used for. its very useful ppt
THE DRUG DESIGN AND DEVELOPMENT BASED ON DRUG DISCOVERY ,HERE ITS NEED RATIONALE ARE EXPLAINED ALSO QSAR, MOLECULAR DOCKING ITS HISTORY NEED, STRUCTURE BASED DRUG DESIGN IN EASY WAY WE HAVE MENTIONED. THIS WILL MAKE READERS EASY TO COLLECT DATA AT A PLACE ALL OVER THIS IS FOR PHARMA STUDENTS, ACADEMICS, PROFESSIONL AND OST USEFUL FOR RESEARCHERS.
THANK YOU
HOPE YOU WILL LIKE AND SHARE
Computational modeling of drug dispositionPV. Viji
Computational modeling of drug disposition , Modeling techniques , Drug absorption , solubility , intestinal permeation , Drug distribution , Drug excretion , Active Transport , P-gp , BCRP , Nucleoside transporters , hPEPT1 , ASBT , OCT , OATP , BBB-choline transporter
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
Knee anatomy and clinical tests 2024.pdfvimalpl1234
This includes all relevant anatomy and clinical tests compiled from standard textbooks, Campbell,netter etc..It is comprehensive and best suited for orthopaedicians and orthopaedic residents.
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.
Pulmonary Thromboembolism - etilogy, types, medical- Surgical and nursing man...VarunMahajani
Disruption of blood supply to lung alveoli due to blockage of one or more pulmonary blood vessels is called as Pulmonary thromboembolism. In this presentation we will discuss its causes, types and its management in depth.
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
Report Back from SGO 2024: What’s the Latest in Cervical Cancer?bkling
Are you curious about what’s new in cervical cancer research or unsure what the findings mean? Join Dr. Emily Ko, a gynecologic oncologist at Penn Medicine, to learn about the latest updates from the Society of Gynecologic Oncology (SGO) 2024 Annual Meeting on Women’s Cancer. Dr. Ko will discuss what the research presented at the conference means for you and answer your questions about the new developments.
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.
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.
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
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.
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
Explore natural remedies for syphilis treatment in Singapore. Discover alternative therapies, herbal remedies, and lifestyle changes that may complement conventional treatments. Learn about holistic approaches to managing syphilis symptoms and supporting overall health.
2. INTRODUCTION TO DRUG
DISCOVERY
• In the past most drugs have been discovered either by identifying the active
ingredient from traditional remedies or by serendipitous discovery.
• But now we now know diseases are controlled at molecular and
physiological levels.
• Also shape of the molecule at atomic level is well understood.
• Information of human genome .
8. Registration Of Drugs
• NDA must be submitted to DCGI(Drug Controller General of India)
• Phase III study reported to CDL(Central Drugs Laboratory) Kolkata
• Package inserted approved by DCGI
• Marketing approval from FDA
9. NOVEL DRUG
DEVELOPMENT• A Novel Drug or a New Molecular Entity (NME) is an active
compound, complex, molecule that previously has not been
approved by the FDA.
• This is different from a previously approved drug that has received
approval for an different but new condition. This is also different
from a generic drug which is a generic (typically) off-patent
formulation of the same NME but produced by an alternative
company.
• NMEs will also include drugs that use the same mechanism of
action as a previously approved drug. They are still considered a
Novel Drug since the extensive characterization of the
pharmacological properties of that drug were carried out.
11. QSAR
• A QSAR is a mathematical relationship between a
biological activity of a molecular system and its
geometric and chemical characteristics.
• QSAR attempts to find consistent relationship
between biological activity and molecular properties,
so that this ‘rules’ can be used to evaluate the activity
of new compounds
12.
13. • The biological activity can be expressed quantitatively as the
concentration of a substance required to give a certain
biological response. Additionally, when physiochemical
properties or structures are expressed by numbers, one can find
a mathematical relationships, or quantative structure activity
relationships, between the two. The mathematical expressions,
if carefully validated can be used to predicts the modeled
response of other chemical structures.
ACTIVITY=f (physiochemical properties and/or structural
properties) + error(model error and observational variability)
14. STATISTICAL CONCEPTS
• The problem of QSAR is to find coefficients C0,C1……….Cn such that
BIOLOGICALACTIVITY= C0+(C1+P1)+……+(CnPn) and the
prediction error is minimized for a list of m compounds.
• Partial Least Squares (PLS) is a technique used for computation of the
coefficients of structural descriptors.
15.
16. SAR AND SAR PARADOX
• The basic assumption for all the molecule based hypothesis is that similar
molecules have similar activities. This principle is called Structure
Activity Relationship (SAR).
• The SAR paradox refers to the fact that it is not the case that all similar
molecules have similar activities.
E.g.: To define a small difference on a
molecular level like reaction ability, solubility etc might depend on another
difference
17. TYPES
• 1) FRAGMENT BASED (Group Contribution)
• 2) 3D QSAR
• 3) CHEMICAL DESCRIPTOR BASED.
18. FRAGMENT BASED QSAR
• Also known as GQSAR
• Allows flexibility to study various molecular fragments of
interest in relation to the variation in biological response.
• An advanced approach on fragment or group based QSAR
based on the concept of pharmacophore similarity is
developed.
• Proves to be a promising strategy for fragment library design
and in fragment to lead identification endeavors.
19.
20. 3D-QSAR
• Application of force field calculations requiring three
dimensional structures of a given set of small molecules
with known activities.
• Structural descriptors are of immense importance in every
QSAR model. Common structural descriptors are
pharmacophores and molecular fields.
• 3D data has to be converted to 1D in order to use
PLS(Partial Least Square).
• Software- Tripos- ComFa, VolSurf
21.
22. Chemical Descriptor Based
• Various electronic, geometric, or steric properties of a
molecule are computed and used to develop a QSAR.
• Different from fragment based in that the descriptors
are computed for the system as a whole rather than
from the properties of individual fragments.
• And from 3D QSAR in that the descriptors are
computed from scalar quantities, rather than from 3D
fields.
23.
24. MODELING
Data Mining approach Matched molecular pair analysis
• uses support vector machines,
decision trees, neural networks for
inducing a predictive learning model.
•Molecular mining approach, a special
case of structured data mining
approaches, apply a similarity matrix
based prediction
•Derived from non linear machine
learning.
•New concept, also called prediction
MMPA which is coupled with QSAR
model in order to identify activity
cliffs.
26. VALIDATION
Internal
validation/Cross
validation
External validation Blind external
validation
Data
randomization/Y
scrambling
•While extracting
data ,cross
validation is the
measure of model
robustness, the
more the model is
robust, the less
data extraction
perturbs the
original model.
•By splitting the
available data set
into training set
for model
development and
prediction set of
model
productivity
check
•By application
on new external
data
•For verifying the
absence of chance
correlation
between the
response and
modeling
descriptors
27. ADVANTAGES
• Quantifying the relationship between structure and activity
provides an understanding of the effect of structure on
activity, which may not be straightforward when large amounts of
data are generated.
• There is also the potential to make predictions leading to the
synthesis of novel analogues. Interpolation is readily justified, but
great care must be taken not to use extrapolation outside the range
of the data set.
• The results can be used to help understand interactions between
functional groups in the molecules of greatest activity, with those
of their target. To do this it is important to interpret any derived
QSAR in terms of the fundamental chemistry of the set of
analogues, including any outliers.
28. DISADVANTAGES
• False correlations may arise through too heavy a reliance being
placed on biological data, which, by its nature, is subject to
considerable experimental error.
• Frequently, experiments upon which QSAR analyses depend, lack
design in the strict sense of experimental design. Therefore the
data collected may not reflect the complete property space.
Consequently, many QSAR results cannot be used to confidently
predict the most likely compounds of best activity.
• Various physicochemical parameters are known to be cross-
correlated. Therefore only variables or their combinations that have
little covariance should be used in a QSAR analysis; similar
considerations apply when correlations are sought for different sets
of biological data.
29. APPLICATIONS
• CHEMICAL-First QSAR applications was to predict boiling
points.
• BIOLOGICAL-Identification of chemical structures that
could have good inhibitory effects on specific targets and have
low toxicity.
Prediction of partition coefficient log P, which is used
to know the drug likeness.
• Used for risk assessment. Suggested by REACH regulation-
Regulation, Evaluation, Authorization and Restriction of
chemicals
30. HTS
Commonly used terms in drug discovery
• High throughput screen: an optimized, miniaturized assay format that
enables the testing of > 100,000 chemically diverse compounds per day.
• Assay: a test system in which biological activity can be detected
• Hit: a molecule with confirmed concentration-dependent activity in a screen,
and known chemical structure.
• Progressible hit: a representative of a compound series with activity via
acceptable mechanism of action and some limited structure-activity
relationship information
• Lead: a compound with potential (as measured by potency, selectivity,
physico-chemical properties, absence of toxicity or novelty) to progress to
a full drug development programme
31. What is High throughput
Screening ?
• High throughput screening (HTS) is a tool for early-
stage drug discovery.
• Definition : HTS is process by which large number of
compounds are rapidly tested for their ability to
modify the properties of a selected biological target.
35. Why High throughput screening
need arises ?
• FACT 1: recent understanding of disease mechanisms has
dramatically increased no. of protein targets for new drug
treatment.
• FACT 2: new technologies have increased the no. of drugs that
can be tested for activity at these targets.
36. GOALS
• Goal is to identify ‘hits’ or ‘leads’
- affect target in desired manner
- active at fairly low concentration (more likely to show specificity)
- new structure
-The greater the number and diversity of compounds screened, the
more successful screen is likely to be.
-HTS = 50,000-100,000 compounds screened per day!!!
37. • The majority of drug targets are :
• • a) G-protein coupled receptors
• • b) nuclear receptors
• • c) ion channels
• • d) enzymes
38.
39. EXPLANATION
• It is a method for scientific experimentation especially used in drug discovery and is relevant
to biology and chemistry. This process in combination with robotics, data processing and
control software, liquid handling devices and sensitive detectors allows a researcher to
quickly conduct millions of chemical, genetic or pharmacological tests.
• It can rapidly identify active compounds, antibodies or genes which modulate a particular
bimolecular pathway. Considered as a process in which batches of compounds are tested for
binding activity or biological activity against target molecules.
• Is a process of screening more compounds against more targets per unit time, which should
generate more hits, which in turn will generate more leads, subsequently generating more
products.
• Defined by the number of compounds tested to be in the range of 10,000-100,000 per day,
ultra HTS is defined by screening more than 100,000 data point generated per day. These two
technologies play a vital role in drug discovery to find new chemical compounds.
40.
41.
42. PROCEDURE
• High-throughput screening in drug discovery is used to screen :
• Novel biological active compounds
• Natural products
• Combinatorial libraries (Ex: peptides; chemicals)
• Biological libraries
• DNA chips
• RNA chips
• Protein chips
• Main lab ware is the microtiter plate. Modern microplates are
performed in automation-friendly microtiter plates with a 96, 384,
1536 or 3456 well format. These wells contain experimentally
useful matter, often an aqueous solution of dimethyl sulfoxide
(DMSO).
43. Primary screen is designed to rapidly identify hits from compound libraries,
run in multiplets of single compound concentrations. Hits are then retested,
usually independently from the first assay.
If a compound exhibits the same activity, it is coined as confirmed hit, which
proceeds to secondary screens or lead optimization. The results from lead
optimization are used to decide which substances will make it on to clinical
trials.
In combination with bioinformatics, it allows potential drugs to be quickly and
efficiently screened.
44. • The key to high-throughput screening is to develop a test, or assay, in
which binding between a compound and a protein causes some visible
change that can be automatically read by a sensor. Typically the change is
emission of light by a fluorophore in the reaction mixture.
• One way to make this occur is to attach the fluorophore to the target protein
in such a way that its ability to fluoresce is diminished (quenched) when
the protein binds to another molecule.
• Assay technology in HTS-1)Cell growth test-cell based assays or
phenotypic assays,
2) Tissue response-targeted functional cell based
assay,
3) Enzyme test-biochemical test.
45.
46. ADVANTAGES
• High sensitivity of assay(single molecule
detection)
• High speed of assay(automation)
• Minimization of assay(microtitre plate assay)
• Low background signal
• Low complexicity of assay
• Reproducibility
• Fast data processing of results
• Acceptable cost
49. CONCLUSIONS
• HTS is became an effective technique and competitive with
the latest, upcoming related technologies in the market. The
growing importance of this process is cost effectiveness of
drug discovery and development, operating processes for
development of homogeneous, fluorescence-based assays in
reduced formats.
• The combination with robotics, data processing and control
software, liquid handling devices, TR-FRET, FRET,
Fluorescence polarization techniques has added a significant
valued to each data point generated by high throughput
screens.
50. REFERENCES
• Drug discovery and development-linkedIn
slide share
• HTS-Wikipedia
• QSAR on drug discovery and
development-Robert et.al
• Different approaches on drug discovery
and development-wikishare.com