Traditional drug discovery process design 6 powerpoint ppt slides.

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The document describes two approaches to drug discovery: the traditional approach and the SWITCH drug re-profiling approach. The traditional approach involves lengthy timelines of 0.5-6 years across target identification, validation, lead identification, candidate optimization, pre-clinical trials, and clinical trials. The SWITCH approach aims to shorten timelines by mining existing drug data to identify new therapeutic uses for existing drugs and performing a clinical proof of concept trial within 0.5-1 year on a re-profiled drug.

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Drug discovery and development is a long, expensive, and complex process averaging about 12 years and $500 million to bring a new prescription medication to market. Only 1 in 10,000 compounds eventually becomes an approved drug. The process involves discovery, preclinical research, clinical trials, and regulatory approval. Discovery aims to identify candidate drug molecules, while preclinical research studies their safety and efficacy in animal models before human testing. Clinical trials then evaluate new drugs with patients for safety and effectiveness over several phases before regulatory approval and marketing.

Druggability of NCEs

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This document discusses the druggability of new chemical entities (NCEs). It defines druggability as the ability of a compound to be used commercially as a pharmaceutical drug after undergoing clinical trials. Several rules for determining druggability are described, with Lipinski's rule of five being the most popular. Lipinski's rule states that good oral bioavailability is more likely if a compound has less than 5 H-bond donors, 10 H-bond acceptors, a molecular weight below 500 Daltons, and a logP value below 5. The document also discusses other druggability rules and exceptions to Lipinski's rule.

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The document provides an overview of drug discovery and development. It discusses the various stages including discovery, preclinical research, clinical trials (phases 1-4), regulatory approval, and post-approval surveillance. The discovery stage involves identifying drug targets and lead compounds. Preclinical research involves safety testing in animals. Clinical trials test safety and efficacy in humans in phases. Regulatory agencies approve drugs that are proven safe and effective. Post-approval surveillance monitors drugs after market release. The overall process aims to develop innovative therapies while ensuring patient safety.

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The document discusses the hit to lead (H2L) stage of drug discovery. In this stage, small molecule hits identified from high-throughput screening undergo limited optimization to identify lead compounds with improved binding affinity, selectivity, metabolic properties, and other qualities. The goal is to progress compounds from the micromolar binding range to nanomolar binding through synthetic analogs before advancing to the lead optimization stage. Key aspects of H2L include hit confirmation, expansion through synthetic analogs, and selection of lead series based on various criteria for further exploration.

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This document provides an overview of high throughput screening (HTS). It defines HTS as a process that can quickly screen 10,000-100,000 compounds per day to identify interactions between chemicals and biological targets. The document outlines the history, definitions, instrumentation, techniques, applications and limitations of HTS. HTS is an important tool in drug discovery for identifying hit compounds from libraries that can then be optimized into lead molecules.

Lead identification

Vikram Choudhary

The document discusses lead identification in drug development. It defines a lead compound as one that shows desired pharmaceutical activity and could potentially be developed into a drug. The document outlines the content to be presented, including an introduction to lead identification, what a lead is, properties of leads, and methods for identifying leads. Key methods discussed are random screening, non-random screening, high-throughput screening, and structure-based drug design.

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The document provides an overview of the modern drug discovery process, focusing on lead identification and lead optimization. It discusses how lead compounds are initially identified through screening compound libraries or structure-based drug design. These leads are then optimized through chemical modifications to improve properties like efficacy, potency, pharmacokinetics and toxicity profile. The goal is to develop compounds suitable for preclinical and clinical testing towards becoming an approved drug. Methods for lead optimization include modifying functional groups, exploring structure-activity relationships, and altering aspects like stereochemistry.

Traditional and Rational Drug Designing

Manish Kumar

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.

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This document discusses rational drug design, which involves designing drugs based on knowledge of biological targets. It describes two main approaches: structure-based drug design, which relies on determining the 3D structure of the target using techniques like X-ray crystallography, and ligand-based drug design, which relies on knowledge of molecules that already bind to the target. Structure-based design involves identifying a drug target, determining its structure and function, then designing drugs that interact with it beneficially. Homology modeling can be used to model targets when experimental structures are unavailable. The document outlines the steps of structure-based design in rational drug development.

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This document discusses genomics and proteomics based drug discovery. It explains that genomics involves sequencing genomes to understand gene functions and interactions, while proteomics studies protein expression and interactions. The document outlines how structural bioinformatics and techniques like protein-ligand docking can help in drug target identification and rational drug design. It also discusses how proteomics can aid in various stages of drug discovery like target identification and validation.

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Docking based screening of drugs.

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This document discusses various methods for virtual screening (VS), which involves using computer-based techniques to rapidly assess large libraries of chemical compounds to select lead candidates. It describes ligand-based methods that use information from known active compounds, receptor-based docking methods that use the 3D structure of the target protein, and classification of VS techniques as either ligand- or receptor-based. It also discusses other docking-based VS methods such as classical docking studies, pharmacophore/docking studies, fragment docking approaches, and new docking methods.

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The document discusses the high costs involved in drug discovery and development. It notes that the average cost to bring a new drug to market is approximately $800 million and $127 billion was spent on pharmaceutical research and development in 2010 alone. The process involves several key stages - drug discovery, preclinical testing, clinical trials, and FDA review - which can take over 10 years to complete. Around 30% of total costs are spent in the early discovery phase, 15-20% in preclinical testing, and 40% on clinical trials. Despite advances that have reduced timelines, the overall costs of drug development remain very high.

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Target identification in drug discovery

Swati Kumari

The document discusses target identification in drug discovery. It begins by defining a target and explaining that target identification is the first step in drug discovery. It then discusses various approaches to target identification, including direct biochemical methods, genetic interaction methods, and computational inference methods. The document also discusses characteristics of drug targets and how drugs interact with targets at the molecular level. It provides examples of tools that can be used for target identification and validation, such as microarrays, antisense technology, and proteomics. In summary, the document outlines the process of target identification in drug discovery and various methods that can be used to identify and validate potential drug targets.

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Quantitative structure - activity relationship (QSAR)

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Quantitative structure - activity relationship (QSAR) Why QSAR? costs – 800M$ to bring a new drug to market Patent life time is limited (generic drugs) Synthesis / Purification of compounds is expensive and time consume-able It is like find a needle in the haystack QSAR helps for focusing most promising drug candidates QSAR is a mathematical relationship between a “biological activity of a molecular system” and its “geometric and chemical characteristics”. Such relationships holds – Equations can be drawn up- some confidence to which should be Fit to the target QSAR what actually do? IDENTIFY AND QUANTIFY the Physico-chemical properties effect on Drug’s Biological activity Aims To relate the biological activity of a series of compounds to their physicochemical parameters in a quantitative fashion using a mathematical formula Requirements Quantitative measurements for biological and physicochemical properties Physicochemical Properties Hydrophobicity of the molecule Hydrophobicity of substituents Electronic properties of substituents Steric properties of substituents QSAR equations are only applicable to compounds in the same structural class (e.g. ethers) However, log Po is similar for anaesthetics of different structural classes (ca. 2.3) Structures with log P ca. 2.3 enter the CNS easily (e.g. potent barbiturates have a log P of approximately 2.0) Can alter log P value of drugs away from 2.0 to avoid CNS side effects Physical properties are measured for the molecule as a whole Properties are calculated using computer software No experimental constants or measurements are involved Properties are known as ‘Fields’ Steric field - defines the size and shape of the molecule Electrostatic field - defines electron rich/poor regions of molecule Hydrophobic properties are relatively unimportant No reliance on experimental values Can be applied to molecules with unusual substituents Not restricted to molecules of the same structural class Predictive capability Comparative molecular field analysis (CoMFA) - Tripos Build each molecule using modelling software Identify the active conformation for each molecule Identify the pharmacophore THANKING YOU

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CLINICAL RESEARCH IS ONE WHICH MADE POSSIBLE , ORAGAN TRANSPLANT, MANAGE OF DIBETIS, ADDED YEAR OF AIDS PATIENT. HOW WELL NEW APPROCHES AND WORK IN PEOPLE. THE APPROACHES CAN BE MEDICAL, BEHAVIORAL, OR MANAGEMENT. EACH STUDY ANSWER SCIENTIFIC QUESTION. GENERAL INTRODUCTION OF CLINICAL RESEARCH KEY POINTS AND CONCEPTUAL DEFINATION DRUG DISCOVERY PROCESS SOURCES OF DRUG DISCOVERY PRECLINICAL STUDY FOR MORE RELATED QUERIES CONTACT US ON- 9028839789 FOR ENROLLMENT IN NEXT BATCH CONTACT ON ABOVE MENTIONED NUMBER

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Thanh Truong

This document discusses the drug discovery process from target identification through FDA approval. It describes methods used for target identification such as genomics, bioinformatics, and proteomics. The stages of lead identification through high-throughput screening and structure-based drug design are outlined. Key aspects of lead optimization like characterizing potency, efficacy, pharmacokinetics, and toxicity are summarized. Details are provided on preclinical and clinical trial phases from Phase 0 through Phase IV post-marketing surveillance. Factors contributing to the declining drug approval rate like increased safety demands are noted. The high costs and failure rates associated with drug development are highlighted.

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Rational drug design is a process that begins with knowledge of a biological target and aims to design small molecules that interact optimally with that target to produce a desired therapeutic effect. It involves analyzing the structures of active molecules and known targets, then designing new molecules that are predicted to specifically fit the target. This may involve modifying existing lead compounds or building new ones de novo. The goal is to develop drugs with greater potency, selectivity and fewer side effects than those found by traditional trial-and-error means. Cimetidine for reducing stomach acid is provided as an example of rational drug design, where histamine analogs were synthesized and optimized until an effective and safe product was obtained.

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1) The document discusses the basics of drug design including defining the disease process, identifying targets for drug design like enzymes, receptors and nucleic acids, and the different approaches of ligand-based drug design and structure-based drug design. 2) It also covers important techniques in drug design like computer-aided drug design using computational methods, quantitative structure-activity relationships (QSAR), and the uses of computer graphics in molecular modeling and dynamics simulations. 3) Important experimental techniques discussed are x-ray crystallography and NMR spectroscopy that provide structural information for target biomolecules essential for structure-based drug design.

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Traditional drug discovery process design 6 powerpoint ppt slides.

1. Drug Discovery Process - Style 6 Traditional Drug Discovery 0.5 - 1 Year 0.5 - 1 Year 0.5 - 1 Year 2 - 3 Years 1 - 2 Years 4 - 6 Years Target Target Lead Candidate Pre-Clinical Clinical Identification Validation Identification Optimization SWITCH Drug Re-Profiling Approach 0.5 - 1 Year 0.5 - 1 Year Clinical Proof of Concept Trial with Re- Profiled Drug Data Mining www.slideteam.net Your Logo

2. Drug Discovery Process - Style 6 Traditional Drug Discovery 0.5 - 1 Year 0.5 - 1 Year 0.5 - 1 Year 2 - 3 Years 1 - 2 Years 4 - 6 Years Target Target Lead Candidate Pre-Clinical Clinical Identification Validation Identification Optimization SWITCH Drug Re-Profiling Approach 0.5 - 1 Year 0.5 - 1 Year Clinical Proof of Concept Trial with Re- Profiled Drug Data Mining Put Text Here Your Text Here Put Text Here Your Text Here Put Text Here Your Text Here • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes here here here here here here • Download this • Download this • Download this • Download this • Download this • Download this awesome awesome awesome awesome awesome awesome diagram diagram diagram diagram diagram diagram • Bring your • Bring your • Bring your • Bring your • Bring your • Bring your presentation to presentation to presentation to presentation to presentation to presentation to life life life life life life www.slideteam.net Your Logo

3. Drug Discovery Process - Style 6 Traditional Drug Discovery 0.5 - 1 Year 0.5 - 1 Year 0.5 - 1 Year 2 - 3 Years 1 - 2 Years 4 - 6 Years Target Target Lead Candidate Pre-Clinical Clinical Identification Validation Identification Optimization SWITCH Drug Re-Profiling Approach 0.5 - 1 Year 0.5 - 1 Year Clinical Proof of Concept Trial with Re- Profiled Drug Data Mining Put Text Here Your Text Here Put Text Here Your Text Here Put Text Here Your Text Here • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes here here here here here here • Download this • Download this • Download this • Download this • Download this • Download this awesome awesome awesome awesome awesome awesome diagram diagram diagram diagram diagram diagram • Bring your • Bring your • Bring your • Bring your • Bring your • Bring your presentation to presentation to presentation to presentation to presentation to presentation to life life life life life life www.slideteam.net Your Logo

4. Drug Discovery Process - Style 6 Traditional Drug Discovery 0.5 - 1 Year 0.5 - 1 Year 0.5 - 1 Year 2 - 3 Years 1 - 2 Years 4 - 6 Years Target Target Lead Candidate Pre-Clinical Clinical Identification Validation Identification Optimization SWITCH Drug Re-Profiling Approach 0.5 - 1 Year 0.5 - 1 Year Clinical Proof of Concept Trial with Re- Profiled Drug Data Mining Put Text Here Your Text Here Put Text Here Your Text Here Put Text Here Your Text Here • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes here here here here here here • Download this • Download this • Download this • Download this • Download this • Download this awesome awesome awesome awesome awesome awesome diagram diagram diagram diagram diagram diagram • Bring your • Bring your • Bring your • Bring your • Bring your • Bring your presentation to presentation to presentation to presentation to presentation to presentation to life life life life life life www.slideteam.net Your Logo

5. Drug Discovery Process - Style 6 Traditional Drug Discovery 0.5 - 1 Year 0.5 - 1 Year 0.5 - 1 Year 2 - 3 Years 1 - 2 Years 4 - 6 Years Target Target Lead Candidate Pre-Clinical Clinical Identification Validation Identification Optimization SWITCH Drug Re-Profiling Approach 0.5 - 1 Year 0.5 - 1 Year Clinical Proof of Concept Trial with Re- Profiled Drug Data Mining Put Text Here Your Text Here Put Text Here Your Text Here Put Text Here Your Text Here • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes here here here here here here • Download this • Download this • Download this • Download this • Download this • Download this awesome awesome awesome awesome awesome awesome diagram diagram diagram diagram diagram diagram • Bring your • Bring your • Bring your • Bring your • Bring your • Bring your presentation to presentation to presentation to presentation to presentation to presentation to life life life life life life www.slideteam.net Your Logo

6. Drug Discovery Process - Style 6 Traditional Drug Discovery 0.5 - 1 Year 0.5 - 1 Year 0.5 - 1 Year 2 - 3 Years 1 - 2 Years 4 - 6 Years Target Target Lead Candidate Pre-Clinical Clinical Identification Validation Identification Optimization SWITCH Drug Re-Profiling Approach 0.5 - 1 Year 0.5 - 1 Year Clinical Proof of Concept Trial with Re- Profiled Drug Data Mining Put Text Here Your Text Here Put Text Here Your Text Here Put Text Here Your Text Here • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes here here here here here here • Download this • Download this • Download this • Download this • Download this • Download this awesome awesome awesome awesome awesome awesome diagram diagram diagram diagram diagram diagram • Bring your • Bring your • Bring your • Bring your • Bring your • Bring your presentation to presentation to presentation to presentation to presentation to presentation to life life life life life life www.slideteam.net Your Logo

7. Drug Discovery Process - Style 6 Traditional Drug Discovery 0.5 - 1 Year 0.5 - 1 Year 0.5 - 1 Year 2 - 3 Years 1 - 2 Years 4 - 6 Years Target Target Lead Candidate Pre-Clinical Clinical Identification Validation Identification Optimization SWITCH Drug Re-Profiling Approach 0.5 - 1 Year 0.5 - 1 Year Clinical Proof of Concept Trial with Re- Profiled Drug Data Mining Put Text Here Your Text Here Put Text Here Your Text Here Put Text Here Your Text Here • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes here here here here here here • Download this • Download this • Download this • Download this • Download this • Download this awesome awesome awesome awesome awesome awesome diagram diagram diagram diagram diagram diagram • Bring your • Bring your • Bring your • Bring your • Bring your • Bring your presentation to presentation to presentation to presentation to presentation to presentation to life life life life life life www.slideteam.net Your Logo

8. Drug Discovery Process - Style 6 Traditional Drug Discovery 0.5 - 1 Year 0.5 - 1 Year 0.5 - 1 Year 2 - 3 Years 1 - 2 Years 4 - 6 Years Target Target Lead Candidate Pre-Clinical Clinical Identification Validation Identification Optimization SWITCH Drug Re-Profiling Approach 0.5 - 1 Year 0.5 - 1 Year Clinical Proof of Concept Trial with Re- Profiled Drug Data Mining Put Text Here Your Text Here Put Text Here Your Text Here Put Text Here Your Text Here • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes • Your Text Goes here here here here here here • Download this • Download this • Download this • Download this • Download this • Download this awesome awesome awesome awesome awesome awesome diagram diagram diagram diagram diagram diagram • Bring your • Bring your • Bring your • Bring your • Bring your • Bring your presentation to presentation to presentation to presentation to presentation to presentation to life life life life life life www.slideteam.net Your Logo

9. All images are 100% editable in Powerpoint “Change color, size and orientation of any icon to your liking” www.slideteam.net

10. Ungrouping the object 2 1 3 1. Right click the object. 2. Choose Group and then Ungroup. 3. Click beside the object and drag the arrow over it. www.slideteam.net

11. Edit Color 2 3 1 1. Select the shape to change the color and Right click the object( click any object which you want to change color) 2. Choose Format Shape in the dialog box. 3. Choose “Fill” in the Format Shape box then “Solid” or “Gradient” depending on the appearance of the object. Change colour as shown in the picture. www.slideteam.net

Traditional drug discovery process design 6 powerpoint ppt slides.

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