1) A compound library is a collection of stored chemicals used in drug discovery. Each chemical has its structure and properties stored in a database to allow efficient searching.
2) Combinatorial and parallel chemistry are used to synthesize new drugs. Combinatorial chemistry rapidly synthesizes large numbers of related compounds while parallel chemistry produces smaller, more focused libraries through solid-phase synthesis of reaction intermediates.
3) Computers are used extensively in drug design through techniques like molecular docking, dynamics, QSAR modeling, and homology modeling to efficiently screen and design potential drug candidates.
Combinatorial chemistry and high throughputscreeningSaikiranKulkarni
Combinatorial chemistry is a collection of techniques which allow for the synthesis of multiple compounds at the same time.
Combinatorial chemistry is one of the important new methodologies developed by researchers in the pharmaceutical industry to reduce the time and costs associated with producing effective and competitive new drugs, By accelerating the process of chemical synthesis, this method is having a profound effect on all branches of chemistry, but especially on drug discovery.
Combinatorial chemistry and high throughputscreeningSaikiranKulkarni
Combinatorial chemistry is a collection of techniques which allow for the synthesis of multiple compounds at the same time.
Combinatorial chemistry is one of the important new methodologies developed by researchers in the pharmaceutical industry to reduce the time and costs associated with producing effective and competitive new drugs, By accelerating the process of chemical synthesis, this method is having a profound effect on all branches of chemistry, but especially on drug discovery.
It is the presentation for Combinatorial Chemistry. this presentation should be helpful for B. Pharm students. It includes introduction, types, applications, advantages and disadvantages.
Physico-chemical Properties in Relation of Drug actionPradnya Gondane
This is the presentation for B. Pharm. IV semester students. It includes all the physico-chemical properties which affect drug action like solubility, ionization, pH, pKa, Protein Binding, Chelation, Hydrogen Bonding, Partition Coefficient and steric factors which includes, optical, conformational and bio isosters. This is prepared according to the PCI syllabus for B. Pharm. IV Semester students for Subject Medicinal Chemistry-I
Combinatorial chemistry is an innovative method of synthesizing many different substances quickly and at the same time.Combinatorial chemistry contrast with the time consuming and labor intensive method of traditional chemistry where compounds are synthesized individually one at a time.
D9 presentation clube http://d9clube.mediatron.com.br/gilsonlondonuk10Jordan Carter
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Da sua casa, da praia, da montanha ou de qualquer lugar onde exista sinal de internet? Não ter um chefe chato no seu pé?
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It is the presentation for Combinatorial Chemistry. this presentation should be helpful for B. Pharm students. It includes introduction, types, applications, advantages and disadvantages.
Physico-chemical Properties in Relation of Drug actionPradnya Gondane
This is the presentation for B. Pharm. IV semester students. It includes all the physico-chemical properties which affect drug action like solubility, ionization, pH, pKa, Protein Binding, Chelation, Hydrogen Bonding, Partition Coefficient and steric factors which includes, optical, conformational and bio isosters. This is prepared according to the PCI syllabus for B. Pharm. IV Semester students for Subject Medicinal Chemistry-I
Combinatorial chemistry is an innovative method of synthesizing many different substances quickly and at the same time.Combinatorial chemistry contrast with the time consuming and labor intensive method of traditional chemistry where compounds are synthesized individually one at a time.
D9 presentation clube http://d9clube.mediatron.com.br/gilsonlondonuk10Jordan Carter
http://d9clube.mediatron.com.br/gilsonlondonuk10 Você é fã de esportes?
Gostaria de trabalhar com algo divertido, dinâmico e que te dê prazer?
Da sua casa, da praia, da montanha ou de qualquer lugar onde exista sinal de internet? Não ter um chefe chato no seu pé?
E ainda por cima obter uma renda mensal que pode ser equivalente ao salário de um bom cargo público?
Se você disse “sim” para alguma dessas perguntas, Entre em contato!
Procuro apenas 10 lideres focados e determinados para ganhar 300 mil em 2017.
Somos um grupo formado por pessoas de visão ampla, voltadas ao empreendedorismo digital. E que busca juntos, independência financeira e qualidade de vida!
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Les types de drogues et leurs effets par Christian MorettoLACT
Extrait d'une web conférence sur le thème des addictions présentée par Christian Moretto, psychothérapeute et chercheur associé au STC d'Arezzo (Italie) spécialisé dans la toxico-dépendance.
Interview menée par Grégoire Vitry, directeur de LACT (cabinet de conseil en RH)
Gosta de futebol ??? #GanheDinheiroAssistindoFutebol ⚽⚽
Quer se tornar um Trader Esportivo profissional e ter ganhos imediatos de 30% a 150% do seu investimento na Betfair ?
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Estou vendendo um curso, aonde todos alunos estão tendo resultados satisfatórios, basta estudar os módulos e seguir os prognósticos das analises feitas por profissionais da área.
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– Os #Experts da D9 passam as diretrizes no pré jogo, dentro do nosso canal de comunicação, através de textos, imagens, áudios e vídeos.
– Caso seja necessário, a empresa sugere novas entradas e saídas do mercado. Desta forma são minimizadas as perdas e maximiza os lucros.
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WhatsApp: (51) 9 8223–3124
www.facebook.com/imarketslivebrazil
A iMarketsLive é uma empresa Americana, fundada em 2012 por Christopher Terry, um renomado Coach e Trader Forex que já treinou mais de 22 mil pessoas no mercado, citado em vários veículos de informação do setor. Chris lança ao mercado de Marketing de rede uma oportunidade única de renda residual com segurança para seus Distribuidores independentes e disponibiliza para seus clientes um produto que também é uma fonte de resultados financeiros no mercado de forex, contendo uma gama de produtos classificados como INSTRUTIVOS e EDUCACIONAIS, atendendo ao público totalmente leigo em Forex e o público mais avançado com as mais diversas ferramentas e treinamentos.
Bem vindo ao futuro do Marketing de Rede agora no Brasil: iMARKETSLIVE!
#Junteseaomovimento
A brief description of some important topics of pharmaceutical chemistry like lead compounds bioactive compounds and prodrugs &soft drugs which are the base of pharmaceuticals.
One of the most recently created delivery systems for bioactive chemicals like peptides, proteins, hormones, antigens, and genes is called an aquasome. Aquasomes have circular 60–300 nm-sized particles. Aquasomes are networks of nanoparticulate carriers rather than pure nanoparticles. They are spherical particles made of calcium phosphate or ceramic diamond coated with a polyhydroxy oligomeric layer. A solid phase nanocrystalline core covered in an oligomeric film that adsorbs biochemically active molecules with or without modification makes up the core of the three layers of self-assembled structures. It frequently serves as an implant preparatory tool.
Combinatorial chemistry by Sunil Yadav SD Bihani College sri gangangar sunilkamal1045
The Combinatorial Chemistry is a scientific method in which a very large number of chemical entities are synthesized by condensing a small number of chemical compounds together in all combinations defined by a small set of chemical reactions.
Hydrogels,
introduction,
historical background,
properties,
classification,
difference between chemical and physical hydrogels,
common uses,
pharmaceutical applications,
preparation methods,
list of monomers used,
analytical machines,
advantages,
disadvantages,
conclusion
LF Energy Webinar: Electrical Grid Modelling and Simulation Through PowSyBl -...DanBrown980551
Do you want to learn how to model and simulate an electrical network from scratch in under an hour?
Then welcome to this PowSyBl workshop, hosted by Rte, the French Transmission System Operator (TSO)!
During the webinar, you will discover the PowSyBl ecosystem as well as handle and study an electrical network through an interactive Python notebook.
PowSyBl is an open source project hosted by LF Energy, which offers a comprehensive set of features for electrical grid modelling and simulation. Among other advanced features, PowSyBl provides:
- A fully editable and extendable library for grid component modelling;
- Visualization tools to display your network;
- Grid simulation tools, such as power flows, security analyses (with or without remedial actions) and sensitivity analyses;
The framework is mostly written in Java, with a Python binding so that Python developers can access PowSyBl functionalities as well.
What you will learn during the webinar:
- For beginners: discover PowSyBl's functionalities through a quick general presentation and the notebook, without needing any expert coding skills;
- For advanced developers: master the skills to efficiently apply PowSyBl functionalities to your real-world scenarios.
In the rapidly evolving landscape of technologies, XML continues to play a vital role in structuring, storing, and transporting data across diverse systems. The recent advancements in artificial intelligence (AI) present new methodologies for enhancing XML development workflows, introducing efficiency, automation, and intelligent capabilities. This presentation will outline the scope and perspective of utilizing AI in XML development. The potential benefits and the possible pitfalls will be highlighted, providing a balanced view of the subject.
We will explore the capabilities of AI in understanding XML markup languages and autonomously creating structured XML content. Additionally, we will examine the capacity of AI to enrich plain text with appropriate XML markup. Practical examples and methodological guidelines will be provided to elucidate how AI can be effectively prompted to interpret and generate accurate XML markup.
Further emphasis will be placed on the role of AI in developing XSLT, or schemas such as XSD and Schematron. We will address the techniques and strategies adopted to create prompts for generating code, explaining code, or refactoring the code, and the results achieved.
The discussion will extend to how AI can be used to transform XML content. In particular, the focus will be on the use of AI XPath extension functions in XSLT, Schematron, Schematron Quick Fixes, or for XML content refactoring.
The presentation aims to deliver a comprehensive overview of AI usage in XML development, providing attendees with the necessary knowledge to make informed decisions. Whether you’re at the early stages of adopting AI or considering integrating it in advanced XML development, this presentation will cover all levels of expertise.
By highlighting the potential advantages and challenges of integrating AI with XML development tools and languages, the presentation seeks to inspire thoughtful conversation around the future of XML development. We’ll not only delve into the technical aspects of AI-powered XML development but also discuss practical implications and possible future directions.
Communications Mining Series - Zero to Hero - Session 1DianaGray10
This session provides introduction to UiPath Communication Mining, importance and platform overview. You will acquire a good understand of the phases in Communication Mining as we go over the platform with you. Topics covered:
• Communication Mining Overview
• Why is it important?
• How can it help today’s business and the benefits
• Phases in Communication Mining
• Demo on Platform overview
• Q/A
The Art of the Pitch: WordPress Relationships and SalesLaura Byrne
Clients don’t know what they don’t know. What web solutions are right for them? How does WordPress come into the picture? How do you make sure you understand scope and timeline? What do you do if sometime changes?
All these questions and more will be explored as we talk about matching clients’ needs with what your agency offers without pulling teeth or pulling your hair out. Practical tips, and strategies for successful relationship building that leads to closing the deal.
UiPath Test Automation using UiPath Test Suite series, part 6DianaGray10
Welcome to UiPath Test Automation using UiPath Test Suite series part 6. In this session, we will cover Test Automation with generative AI and Open AI.
UiPath Test Automation with generative AI and Open AI webinar offers an in-depth exploration of leveraging cutting-edge technologies for test automation within the UiPath platform. Attendees will delve into the integration of generative AI, a test automation solution, with Open AI advanced natural language processing capabilities.
Throughout the session, participants will discover how this synergy empowers testers to automate repetitive tasks, enhance testing accuracy, and expedite the software testing life cycle. Topics covered include the seamless integration process, practical use cases, and the benefits of harnessing AI-driven automation for UiPath testing initiatives. By attending this webinar, testers, and automation professionals can gain valuable insights into harnessing the power of AI to optimize their test automation workflows within the UiPath ecosystem, ultimately driving efficiency and quality in software development processes.
What will you get from this session?
1. Insights into integrating generative AI.
2. Understanding how this integration enhances test automation within the UiPath platform
3. Practical demonstrations
4. Exploration of real-world use cases illustrating the benefits of AI-driven test automation for UiPath
Topics covered:
What is generative AI
Test Automation with generative AI and Open AI.
UiPath integration with generative AI
Speaker:
Deepak Rai, Automation Practice Lead, Boundaryless Group and UiPath MVP
UiPath Test Automation using UiPath Test Suite series, part 5DianaGray10
Welcome to UiPath Test Automation using UiPath Test Suite series part 5. In this session, we will cover CI/CD with devops.
Topics covered:
CI/CD with in UiPath
End-to-end overview of CI/CD pipeline with Azure devops
Speaker:
Lyndsey Byblow, Test Suite Sales Engineer @ UiPath, Inc.
Unlocking Productivity: Leveraging the Potential of Copilot in Microsoft 365, a presentation by Christoforos Vlachos, Senior Solutions Manager – Modern Workplace, Uni Systems
In his public lecture, Christian Timmerer provides insights into the fascinating history of video streaming, starting from its humble beginnings before YouTube to the groundbreaking technologies that now dominate platforms like Netflix and ORF ON. Timmerer also presents provocative contributions of his own that have significantly influenced the industry. He concludes by looking at future challenges and invites the audience to join in a discussion.
Pushing the limits of ePRTC: 100ns holdover for 100 daysAdtran
At WSTS 2024, Alon Stern explored the topic of parametric holdover and explained how recent research findings can be implemented in real-world PNT networks to achieve 100 nanoseconds of accuracy for up to 100 days.
Securing your Kubernetes cluster_ a step-by-step guide to success !KatiaHIMEUR1
Today, after several years of existence, an extremely active community and an ultra-dynamic ecosystem, Kubernetes has established itself as the de facto standard in container orchestration. Thanks to a wide range of managed services, it has never been so easy to set up a ready-to-use Kubernetes cluster.
However, this ease of use means that the subject of security in Kubernetes is often left for later, or even neglected. This exposes companies to significant risks.
In this talk, I'll show you step-by-step how to secure your Kubernetes cluster for greater peace of mind and reliability.
DevOps and Testing slides at DASA ConnectKari Kakkonen
My and Rik Marselis slides at 30.5.2024 DASA Connect conference. We discuss about what is testing, then what is agile testing and finally what is Testing in DevOps. Finally we had lovely workshop with the participants trying to find out different ways to think about quality and testing in different parts of the DevOps infinity loop.
Alt. GDG Cloud Southlake #33: Boule & Rebala: Effective AppSec in SDLC using ...James Anderson
Effective Application Security in Software Delivery lifecycle using Deployment Firewall and DBOM
The modern software delivery process (or the CI/CD process) includes many tools, distributed teams, open-source code, and cloud platforms. Constant focus on speed to release software to market, along with the traditional slow and manual security checks has caused gaps in continuous security as an important piece in the software supply chain. Today organizations feel more susceptible to external and internal cyber threats due to the vast attack surface in their applications supply chain and the lack of end-to-end governance and risk management.
The software team must secure its software delivery process to avoid vulnerability and security breaches. This needs to be achieved with existing tool chains and without extensive rework of the delivery processes. This talk will present strategies and techniques for providing visibility into the true risk of the existing vulnerabilities, preventing the introduction of security issues in the software, resolving vulnerabilities in production environments quickly, and capturing the deployment bill of materials (DBOM).
Speakers:
Bob Boule
Robert Boule is a technology enthusiast with PASSION for technology and making things work along with a knack for helping others understand how things work. He comes with around 20 years of solution engineering experience in application security, software continuous delivery, and SaaS platforms. He is known for his dynamic presentations in CI/CD and application security integrated in software delivery lifecycle.
Gopinath Rebala
Gopinath Rebala is the CTO of OpsMx, where he has overall responsibility for the machine learning and data processing architectures for Secure Software Delivery. Gopi also has a strong connection with our customers, leading design and architecture for strategic implementations. Gopi is a frequent speaker and well-known leader in continuous delivery and integrating security into software delivery.
Epistemic Interaction - tuning interfaces to provide information for AI supportAlan Dix
Paper presented at SYNERGY workshop at AVI 2024, Genoa, Italy. 3rd June 2024
https://alandix.com/academic/papers/synergy2024-epistemic/
As machine learning integrates deeper into human-computer interactions, the concept of epistemic interaction emerges, aiming to refine these interactions to enhance system adaptability. This approach encourages minor, intentional adjustments in user behaviour to enrich the data available for system learning. This paper introduces epistemic interaction within the context of human-system communication, illustrating how deliberate interaction design can improve system understanding and adaptation. Through concrete examples, we demonstrate the potential of epistemic interaction to significantly advance human-computer interaction by leveraging intuitive human communication strategies to inform system design and functionality, offering a novel pathway for enriching user-system engagements.
Observability Concepts EVERY Developer Should Know -- DeveloperWeek Europe.pdfPaige Cruz
Monitoring and observability aren’t traditionally found in software curriculums and many of us cobble this knowledge together from whatever vendor or ecosystem we were first introduced to and whatever is a part of your current company’s observability stack.
While the dev and ops silo continues to crumble….many organizations still relegate monitoring & observability as the purview of ops, infra and SRE teams. This is a mistake - achieving a highly observable system requires collaboration up and down the stack.
I, a former op, would like to extend an invitation to all application developers to join the observability party will share these foundational concepts to build on:
3. D.9.1 Discuss the use of a compound library in drug
design.
• A compound library is a collection of stored chemicals, typically used
in drug discovery high-throughput screening and industrial
manufacturing.
• Each chemical has all of its chemical information like its chemical
structure, chemical properties, and physical properties, stored in a
database.
• If a pharmaceutical chemist is in need of a chemical to perform a
particular function, he or she can search the electronic compound
library database.
• This eliminates the synthesizing and the individual evaluation in the
laboratory of a large number of related compounds. Large numbers of
related compounds can be created quickly.
• This approach saves money and time.
4. D.9.2 Explain the use of combinatorial and parallel
chemistry to synthesize new drugs.
• Combinatorial Chemistry
• Combinatorial chemistry involves the rapid synthesis
or computer simulation of a large number of different
but structurally related molecules or materials.
• Used to synthesize a large number of different
compounds.
• Produces an electronic database or combinatorial
library.
• Used to mass produce drugs by two solid-phase
synthesis.
5. D.9.2 Explain the use of combinatorial and parallel
chemistry to synthesize new drugs.
Solid-Phase Synthesis
• Starting material is covalently bonded to small polystyrene
beads
• The beads are reacted with one another and then split and
reacted with new substances to make new combination of
molecules
• Produced a wide range of molecules
• The products are then purified by filtering of the beads and
washing
• Used to build proteins (polypeptides)
• This method is fully automated and uses robotics
6. D.9.2 Explain the use of combinatorial and parallel
chemistry to synthesize new drugs.
• Sets of individual compounds are then prepared
simultaneously by reacting with a number of different reagents
in arrays of physically separate reaction vessels or micro-
compartments w/o interchange of intermediates during the
assembly process
• This allows a smaller, more focused library than that obtained
with comb. chemistry
• First step towards producing larger yields of materials
identified from screening tests
• They can then be fully characterized w/o need for huge and
laborious identification procedures
7. D.9.2 Explain the use of combinatorial and parallel
chemistry to synthesize new drugs.
Parallel Synthesis
• Used to produce smaller, more focused compound
libraries
• An alternative technique to complement combinatorial
chemistry
• Still uses solid-phase chemistry but on a larger scale
than comb. chemistry
• Advantage: all intermediates and products are generated
separately
• Involves a synthesis of a highly reactive intermediates
8. D.9.3 Describe how computers are used in Drug
Design
• It would be impossible to test millions of molecules in a
lab against any given target, but the computerized
screening process helps in designating a small set of
molecules that can then be tested in a wet lab.
• “In-Silico Drug Design” is a series of methods in
which the computer assists in the identification and
development of medicine and drugs. There are several
methods, each with a different purpose/ application
9. D.9.3 Describe how computers are used in Drug
Design
They include:
Molecular Docking and Virtual Screening: the ability to predict binding
conformations and affinities of millions of molecules without the need of
a single synthetic step
Molecular Dynamics: the prediction of the evolution of molecular
systems over time, the study of protein conformation, protein-protein
interactions, the simulation of biological membranes.
Quantum Mechanics: the study of chemical reactions, the effects of
substitutions on electronic properties and reactivity of molecules
QSAR: Quantitative structure-activity relationship. The ability of
predicting biological properties of molecules without even the need of
knowing their target
Homology Modeling: predicting the structures of proteins that has not
been yet crystallized
10. D.9.3 Describe how computers are used in Drug
Design
• One example is the
CSIR Bio-Suite
• The Indian CSIR
(Council for
Scientific and
Industrial Research)
developed the “Bio-
Suite”
• a software tool to aid
in the drug discovery
process.
11. D.9.4. Discuss how the polarity of a molecule can be
modified to increase its aqueous solubility and how this
facilitates its distribution around the body
• Most medicines/drugs are fairly complex organic
molecules with low polarity.
• Tend to be insoluble in water and other polar
environments in the body, which greatly limits their
capacity as a medicine.
• To increase solubility, they can be administered as an
ionic salt.
12. D.9.4. Discuss how the polarity of a molecule can be
modified to increase its aqueous solubility and how this
facilitates its distribution around the body
• If the molecule
contains amines, then
they can be converted
into their hydrochloride
acid
• This can be seen in the
reaction of ammonia
and hydrochloric acid.
13. D.9.4. Discuss how the polarity of a molecule can be
modified to increase its aqueous solubility and how this
facilitates its distribution around the body
• An example of such a
drug is Fluoxetine
Hydrochloride, more
commonly known as
Prozac
• The opiates contain an
amine group and can
therefore be administered
as their hydrochloride salt.
14. D.9.4. Discuss how the polarity of a molecule can be
modified to increase its aqueous solubility and how this
facilitates its distribution around the body
• Another example is
Diamorphine (Heroine)
• The white powder is
actually Diacetylmorphine
hydrochloride, making it
soluble and possible to
inject into the body.
15. D.9.4. Discuss how the polarity of a molecule can be
modified to increase its aqueous solubility and how this
facilitates its distribution around the body
• The same concept applies to drugs
that contain a carboxylic acid
group. These drugs can be made
polar by converting them into
their anion and administering
them as a sodium or calcium salt.
• Take soluble aspirin for example.
The anion of aspirin enters the
body and returns to its unionized
form once it has reached a strong
acidic part of the body (the
stomach)
16. D.9.5 Describe the use of chiral auxiliaries to form the
desired enantiomer.
• Traditionally, the synthesis of an optically active compound normally
produces a racemic mixture of the two enantiomers. The mixture has to
be separated into the two isomers.
• Recently, a technique using chiral auxiliaries has made it possible to
synthesize just the desired isomer.
• A chiral auxiliary is an optically active chemical compound or unit that
is temporarily incorporated into organic synthesis so that it can be
carried out asymmetrically with the selective formation of one of two
enantiomers.
• This is useful as enantiomers have identical chemical properties in
relation to non-chiral reagents and cannot therefore be easily chemically
separated.
• However, because of the different properties of enantiomers in
biochemical reactions, separation is vital.
17. D.9.5 Describe the use of chiral auxiliaries to form the
desired enantiomer.
• The chiral auxiliary attaches itself to the non-chiral molecule to
create the stereochemical conditions necessary to force the reaction to
follow a certain path.
• Once the new molecule has been formed, the auxiliary can be taken
off (recycled) to leave the desired enantiomer.
18. D.9.5 Describe the use of chiral auxiliaries to form the
desired enantiomer.
• Taxol is an anti-
cancer drug that is
synthesized using
chiral auxiliaries.
17