The document discusses the process of drug design and development. It begins by defining drugs and their targets at the molecular level. Historically, drugs came from plants and natural products, but now they can be designed rationally through understanding disease processes. The drug design process involves identifying a target, discovering leads, and optimizing candidates through computer modeling and testing before clinical trials. Modern techniques like molecular modeling, virtual screening, and computer-aided design have made drug discovery more efficient, but it remains a long, complex, and expensive process.
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
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
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
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.
Prediction of the three dimensional structure of a given protein sequence i.e. target protein from the amino acid sequence of a homologous (template) protein for which an X-ray or NMR structure is available based on an alignment to one or more known protein structures
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
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.
Prediction of the three dimensional structure of a given protein sequence i.e. target protein from the amino acid sequence of a homologous (template) protein for which an X-ray or NMR structure is available based on an alignment to one or more known protein structures
International Placements in Chemistry & "Kultur Brillen"Ray Wallace
The presentation was given at a meeting in Idstein, Germany in October 2016 for industrialists and academics and reflects the author's views on international placements in science (chemistry) gathered from over 30 year's experience of finding jobs for undergraduate students in industry, commerce and governmental bodies.
Overview of computer aided drug designing.
Clinical and Pre-clinical trials.
Prediction of properties and Drug-likeness.
Advanced treatments of protein-ligand binding.
Summary
DRUG DESIGN BASED ON BIOINFORMATICS TOOLSNIPER MOHALI
Drug design is a very complex process it takes many more times but using the these specific tools we can reduce complex process and save the time and produce a effective new drug that will be helpful in heath environment.
Slide 1: Title Slide
Extrachromosomal Inheritance
Slide 2: Introduction to Extrachromosomal Inheritance
Definition: Extrachromosomal inheritance refers to the transmission of genetic material that is not found within the nucleus.
Key Components: Involves genes located in mitochondria, chloroplasts, and plasmids.
Slide 3: Mitochondrial Inheritance
Mitochondria: Organelles responsible for energy production.
Mitochondrial DNA (mtDNA): Circular DNA molecule found in mitochondria.
Inheritance Pattern: Maternally inherited, meaning it is passed from mothers to all their offspring.
Diseases: Examples include Leber’s hereditary optic neuropathy (LHON) and mitochondrial myopathy.
Slide 4: Chloroplast Inheritance
Chloroplasts: Organelles responsible for photosynthesis in plants.
Chloroplast DNA (cpDNA): Circular DNA molecule found in chloroplasts.
Inheritance Pattern: Often maternally inherited in most plants, but can vary in some species.
Examples: Variegation in plants, where leaf color patterns are determined by chloroplast DNA.
Slide 5: Plasmid Inheritance
Plasmids: Small, circular DNA molecules found in bacteria and some eukaryotes.
Features: Can carry antibiotic resistance genes and can be transferred between cells through processes like conjugation.
Significance: Important in biotechnology for gene cloning and genetic engineering.
Slide 6: Mechanisms of Extrachromosomal Inheritance
Non-Mendelian Patterns: Do not follow Mendel’s laws of inheritance.
Cytoplasmic Segregation: During cell division, organelles like mitochondria and chloroplasts are randomly distributed to daughter cells.
Heteroplasmy: Presence of more than one type of organellar genome within a cell, leading to variation in expression.
Slide 7: Examples of Extrachromosomal Inheritance
Four O’clock Plant (Mirabilis jalapa): Shows variegated leaves due to different cpDNA in leaf cells.
Petite Mutants in Yeast: Result from mutations in mitochondrial DNA affecting respiration.
Slide 8: Importance of Extrachromosomal Inheritance
Evolution: Provides insight into the evolution of eukaryotic cells.
Medicine: Understanding mitochondrial inheritance helps in diagnosing and treating mitochondrial diseases.
Agriculture: Chloroplast inheritance can be used in plant breeding and genetic modification.
Slide 9: Recent Research and Advances
Gene Editing: Techniques like CRISPR-Cas9 are being used to edit mitochondrial and chloroplast DNA.
Therapies: Development of mitochondrial replacement therapy (MRT) for preventing mitochondrial diseases.
Slide 10: Conclusion
Summary: Extrachromosomal inheritance involves the transmission of genetic material outside the nucleus and plays a crucial role in genetics, medicine, and biotechnology.
Future Directions: Continued research and technological advancements hold promise for new treatments and applications.
Slide 11: Questions and Discussion
Invite Audience: Open the floor for any questions or further discussion on the topic.
THE IMPORTANCE OF MARTIAN ATMOSPHERE SAMPLE RETURN.Sérgio Sacani
The return of a sample of near-surface atmosphere from Mars would facilitate answers to several first-order science questions surrounding the formation and evolution of the planet. One of the important aspects of terrestrial planet formation in general is the role that primary atmospheres played in influencing the chemistry and structure of the planets and their antecedents. Studies of the martian atmosphere can be used to investigate the role of a primary atmosphere in its history. Atmosphere samples would also inform our understanding of the near-surface chemistry of the planet, and ultimately the prospects for life. High-precision isotopic analyses of constituent gases are needed to address these questions, requiring that the analyses are made on returned samples rather than in situ.
Seminar of U.V. Spectroscopy by SAMIR PANDASAMIR PANDA
Spectroscopy is a branch of science dealing the study of interaction of electromagnetic radiation with matter.
Ultraviolet-visible spectroscopy refers to absorption spectroscopy or reflect spectroscopy in the UV-VIS spectral region.
Ultraviolet-visible spectroscopy is an analytical method that can measure the amount of light received by the analyte.
Earliest Galaxies in the JADES Origins Field: Luminosity Function and Cosmic ...Sérgio Sacani
We characterize the earliest galaxy population in the JADES Origins Field (JOF), the deepest
imaging field observed with JWST. We make use of the ancillary Hubble optical images (5 filters
spanning 0.4−0.9µm) and novel JWST images with 14 filters spanning 0.8−5µm, including 7 mediumband filters, and reaching total exposure times of up to 46 hours per filter. We combine all our data
at > 2.3µm to construct an ultradeep image, reaching as deep as ≈ 31.4 AB mag in the stack and
30.3-31.0 AB mag (5σ, r = 0.1” circular aperture) in individual filters. We measure photometric
redshifts and use robust selection criteria to identify a sample of eight galaxy candidates at redshifts
z = 11.5 − 15. These objects show compact half-light radii of R1/2 ∼ 50 − 200pc, stellar masses of
M⋆ ∼ 107−108M⊙, and star-formation rates of SFR ∼ 0.1−1 M⊙ yr−1
. Our search finds no candidates
at 15 < z < 20, placing upper limits at these redshifts. We develop a forward modeling approach to
infer the properties of the evolving luminosity function without binning in redshift or luminosity that
marginalizes over the photometric redshift uncertainty of our candidate galaxies and incorporates the
impact of non-detections. We find a z = 12 luminosity function in good agreement with prior results,
and that the luminosity function normalization and UV luminosity density decline by a factor of ∼ 2.5
from z = 12 to z = 14. We discuss the possible implications of our results in the context of theoretical
models for evolution of the dark matter halo mass function.
Observation of Io’s Resurfacing via Plume Deposition Using Ground-based Adapt...Sérgio Sacani
Since volcanic activity was first discovered on Io from Voyager images in 1979, changes
on Io’s surface have been monitored from both spacecraft and ground-based telescopes.
Here, we present the highest spatial resolution images of Io ever obtained from a groundbased telescope. These images, acquired by the SHARK-VIS instrument on the Large
Binocular Telescope, show evidence of a major resurfacing event on Io’s trailing hemisphere. When compared to the most recent spacecraft images, the SHARK-VIS images
show that a plume deposit from a powerful eruption at Pillan Patera has covered part
of the long-lived Pele plume deposit. Although this type of resurfacing event may be common on Io, few have been detected due to the rarity of spacecraft visits and the previously low spatial resolution available from Earth-based telescopes. The SHARK-VIS instrument ushers in a new era of high resolution imaging of Io’s surface using adaptive
optics at visible wavelengths.
This pdf is about the Schizophrenia.
For more details visit on YouTube; @SELF-EXPLANATORY;
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2. INTRODUCTION
• Chemical or biological substances.
• Single compounds or a mixture of different
compounds.
• In the past, treatment through traditional remedies.
• Present day, diseases are cured on molecular levels.
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3. HISTORY
– Plants or Natural Product
• Plant and Natural products were source for
medical substance
• Example: foxglove used to treat congestive heart
failure
– Accidental Observations
• 1928: Alexander Fleming observed the effect of
mold
• Mold (Penicillium) produce substance penicillin
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5. DRUG TARGETS
• Target Molecular recognition site to which drug
binds
• Target may be
– Protein molecule
A receptor
Enzyme
Transport molecule
Ion channel
Tubulin
Immunophilin
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7. TYPES
There are four different methodologies commonly used
in the drug designing:
1) Ligand-Based Drug Design or Indirect Drug
Design
2) Structure-Based Drug Design or Direct Drug
Design
3) Rational Drug Design
4) Computer-Assisted Drug Design
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8. Mechanism Based Drug Design
• When the disease process is understood at the
molecular level and the target molecule(s) are
defined
• Drugs can be designed specifically to interact with
the target molecule in such a way as to disrupt the
disease.
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9. Structure-Based Drug Design
• First techniques to be used in drug design.
• Helped in the discovery process of new drugs.
• Information about the structural dynamics and
electronic properties about ligands are obtained
from calculations.
• Structure-based drug design can be divided roughly
into two categories:
I. Ligand based
II. Receptor Based
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10. Department of Bioinformatics &
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• The first category is about “finding” ligands for a
given receptor.
• A large number of potential ligand molecules are
screened
• This method is usually referred as ligand-based
drug design.
• It saves synthetic effort to obtain new lead
compounds.
Ligand-Based Drug Design
12. What is Docking?
• Docking attempts to find the “best” matching
between two molecules
• It includes finding the Right Key for the Lock
• Given two biological molecules determine:
- Whether the two molecules “interact”
- If so, what is the orientation that maximizes
the “interaction” while minimizing the total
“energy” of the complex
Goal: To be able to search a database of
molecular structures and retrieve all molecules
that can interact with the query structure
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13. Receptor Based Drug Design
• Another category is about “building” ligands, which
is usually referred as receptor-based drug design.
• Ligand molecules are built up within the constraints
of the binding pocket by assembling small pieces in
a stepwise manner.
• These pieces can be either individual atoms or
molecular fragments.
• The key advantage of such a method is that novel
structures, not contained in any database, can be
suggested.
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17. • Starting point for gathering information from
mechanistic drug design.
• Determine structural information about a molecule.
• Provides the critically important coordinates needed
for the handling of data by computer modeling
system.
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X-Ray Crystallography
18. Nuclear Magnetic Resonance (NMR)
• NMR uses much softer radiation
• Examine molecules in the more mobile liquid phase
• Three-dimensional information will be obtained.
• Examines small molecule-macromolecule complexes.
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19. Homology Modeling
• Homology modeling, also known as comparative
modeling of protein.
• Constructing an atomic-resolution model of the
"target" and an experimental three-dimensional
structure of a related homologous protein.
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21. HOW IS A DRUG DEVELOPED?
• The development of a new therapeutic drug is a:
I. Complex
II. Lengthy
III. Expensive
• It can take 10-15 years
• Over $500 million to develop a drug from an
initial concept.
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22. Identify Disease
Isolate Protein
(2-5 years)
Find a Drug
(2-5 years)
Preclinical testing
(1-3 years)
Human clinical trials
(2-10 years)
FDA approval
(2-3 years)
23. Identify Disease
Isolate Protein
Finding Drug
Preclinical Testing
TARGET SELECTION
LEAD DISCOVERY
MOLECULAR MODELING
VIRTUAL SCREENING
COMBINATORIAL CHEMISTRY
IN VITRO & IN SILICO ADME MODELS
Cellular & Genetic Targets
High Throughput Screening
In-silico Screening
Chemical Synthesis
Computer graphics & models help improve activity
Tissue and computer models begin to replace animal testing
Human Clinical Trials
25. CONCLUSION
Drug Designing is a multidisciplinary, complex,
costly and intellect intensive process.
Modern drug design techniques can make drug
discovery process more fruitful & rational.
Knowledge management and technique specific
expertise can save time & cost, which is a
paramount need of the hour.
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