Finding novel lead compounds in pesticide discovery inspired by pharma research
The use of high throughput (HTP) methodologies for supporting discovery and development of new agrochemical products opens up new opportunities to test many new compounds potentially acting on biological targets in various organisms. Finding new lead compounds which might act as a new pesticide can sometimes be a lengthy process; we present a method which can provide lead compounds by using the breath of information available from pharmaceutical research.
This webinar will give an overview of the chemical and biological informatics methods and data used to map compounds active against biological targets in parasites in humans to fungal targets. The webinar will then also explore how to arrive at insights in structure activity relationships and freedom to operate in the chemical space for these candidate compounds. Thereby demonstrating how findings from pharmaceutical research can be transferred to fungal research.
RecordedApr 8 202049 mins
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Scientific literature is a critical component to virtually all aspects of a life science enterprise, including Medical Affairs, Pharmacovigilance, and R&D. However, the process of curating and sharing literature can lead to significant challenges in organizing content, facilitating collaboration, and copyright compliance.
In many cases, reference management tools are used to manage the large amounts of literature that accumulate over time. While these tools are helpful for developing bibliographies, a more robust approach to managing literature should be considered in order to effectively collaborate and centralize information.
Especially in the remote-working era, a proper method of literature management can benefit your entire organization. Learn how best practices in literature management can keep you and your colleagues up to date on new developments, support collaboration, enable workflows and more.
Heather Desmarais is a knowledge and information management consultant, as well as the founder and principal of HJDesmarais Consulting LLC. Heather worked in academic and corporate information centers before launching her consulting business in 2015. She received her MLS from the State University of New York at Albany and is based in the Boston area.
It’s an exciting time for those working in predictive reaction chemistry – the different algorithms and approaches available, and the outcomes these are helping to generate. Having a scalable environment that enables model deployment back out to bench chemists is key.
In this webinar Dr Michael Collingsworth (Elsevier, Reaction Workbench Product Owner) and Dr Eric Gilbert (Elsevier, Chemistry Consultant), will show the workbench environment, and demonstrate what it can enable, including efforts to create a model to predict reaction conditions.
If you are interested in any of the following areas, the Entellect® Reaction Workbench can help you and your team.
-Benchmark published models using Reaxys reaction data
-Access harmonized Reaxys reaction data for predictive modeling
-Creating your own predictive models
-Having a scalable and simple way to deploy your work back to your bench chemists
Biomedical literature plays a key role in the development of effective and safe drugs. To avoid missing important insights it is critical your literature search is comprehensive. Additionally, to be efficient, you would like to avoid retrieving too many non-relevant articles.
In this webinar, scientific information experts Dr. Jean Dominique Pierret (Elsevier) and Dr. Caroline Muller (Bioledge) will explain how to quickly and efficiently focus your search on what is essential to you. Wherever you work in drug development, this webinar is relevant for you.
Using different databases and real-world examples, they will explain how to work with search operators to retrieve relevant literature.
What will be discussed during this webinar will allow you to address topics such as:
• Creating a selection of articles on bispecific antibodies for cancer treatment
• Following trends in stents for heart infarction
• Closely monitoring the safety concerns of a specific marketed drug
• Review the latest literature about the specificity of a analytical test
• And more
How do we find reliable spectroscopic, physico-chemical or biochemical properties of chemical substances quickly?
Prof. Damon Ridley will walk us through the exciting world of chemical compound property searching. He is illustrating what databases are available, most reliable and comprehensive enough to serve your scientific needs.
Dr Avinash Kakade, Dr Manoj Swaminathan, Dr Jean-Dominique, Dr Dhanraj,Dr Kabil Kalathingal, Mr Prashant Joshi, Ms Michelle
This 2-hour webinar brings together leading individuals and thought leaders from Pharmacovigilance sharing best practices and strategies on how drug safety professionals can overcome the research challenges in this Covid-19 environment.
Text mining is one way to analyze emerging trends in research literature. Here we show how Elsevier’s text mining tool can be used to identify emerging trends using pancreatic cancer as an example. Firstly, trending taxonomy terms are identified by fitting a regression line to the normalized quarterly counts of publications in which the term is found. Then regression parameters are used to filter for terms that have the greatest fold change in publication counts over the time period. The workflow describing the capturing of trending terms will be described in detail. Several captured terms will be highlighted to demonstrate the insights that can be gained in this type of analysis.
About the speaker:
Dr. Eric Gilbert is an accomplished medicinal chemistry research scientist with over 15 years of experience in drug discovery at Pfizer, Schering-Plough, and Merck. He is the author and coauthor of 16 publications and an inventor for 22 issued US patents. Eric possesses a unique combination of synthesis and drug discovery experience along with an extensive data science background.
Medical Affairs specialists facilitate the flow of unbiased information from science to pharma as medical science liaisons. This efficient exchange between the medical community and the pharmaceutical industry is of paramount importance. It helps pharmaceutical companies reduce healthcare costs and better meet consumer expectations. Medical information specialists have become the ‘go-to partner’ within pharma organizations.
Comprehensive biomedical literature plays a critical role in synthesizing important literature on on drug safety, pharmacoepidemiology, key opinion leaders (KOLs) and much more.In this webinar, you will learn how you can use Embase to extract and synthesize the most relevant information from a sea of data. Embase is the world’s most comprehensive biomedical research and literature database.
Dr. Nadège Krebs will discuss how to:
• Find the latest reports on the burden of a disease or its epidemiology
• Identify the pharma KOLs to build partnerships
• Gather literature on the latest clinical trials for colleagues and/or patients
Discover why 8 international organizations and regulatory authorities recommend Embase.
About the speaker: Nadège is an Embase expert and a solution consultant for corporate companies across Europe. She has helped different stakeholders to answer questions ranging from disease burden to medical devices comparisons to drug pharmacovigilance using Embase.
Fully understanding the Pharmacokinetic properties of a drug is crucial for safe administration of drugs. Too high levels of exposure to a drug can cause severe adverse events whereas a too low exposure can result in the drug not being effective. Differences between patients such as age, gender, kidney status, genotype, smoker, organ impairment or other individual characteristics can significantly influence the pharmacokinetics of a drug.
In clinical research, Pharmacokinetic properties are often determined on homogenous population of healthy volunteers. Based on these data, there is often only one recommended dose for all patients (for example 200mg, twice a day). This can result in unexpected dangerous underexposure or overexposure when administering drugs in a highly heterogenous real-world populations. Therefore, adjusting drug dosing to the characteristics of individual patients can significantly reduce adverse events and improve clinical outcomes.
Join us for this partner webinar where Elsevier and ExactCure will discuss:
*The importance of modelling PK behavior of drugs based on patient characteristics to adjust dosing at individual patient level
*The progress in developing phenotype and genotypic high quality dynamic Pharmacokinetic models
*The need for high quality data to build Pharmacokinetic data models
*How Elsevier and ExactCure are working together to build personalized drug-specific exposure models that allow the prediction of pharmacokinetic properties
Julie Desrivot Quénelle, PKPD Project Lead at Pierre Fabre
Antibody–drug conjugates (ADC) were initially designed to leverage the exquisite specificity of antibodies to deliver targeted potent chemotherapeutic agents with the intention of improving the therapeutic index, however the greatest challenge to date for developing ADCs is a narrow therapeutic window that often results in toxic effects occurring before an ADC reaches its maximally efficacious dose.
The PK/PD scientists at Pierre Fabre have developed the novel modelling and simulation-based tools to guide the choice of the most promising safe and efficacious dosing regimen of an innovative antibody drug conjugate (ADC W0101).
In this webinar, Dr Julie Desrivot Quénelle, the PKPD Project Lead at Pierre Fabre, will uncover the science behind the scenes and talk about model development characterizing:
1) The relationship between PK and tumor growth in xenograft mouse allowing to calculate the tumor-static concentrations (TSC), i.e. drug concentration leading to tumor volume stabilization. The comparison versus ADC PK parameters help to anticipate potential efficacious dosing regimen in human.
2) The ADC-induced toxicity in animal species and in patients. These models were further used to simulate potential patient outcomes, and to identify a safe dose range in clinical setting.
Presenter: Julie Desrivot Quénelle, PKPD Project Lead, Pierre Fabre
Host: Olivier Barberan, Director of Translational Medicine Solutions, Elsevier
DNA-Encoded library (DEL) screening is now commonly used in the pharmaceutical industry to find novel chemical matter that modulates protein targets of interest. A DEL is a mixture of millions of drug-like small-molecules, where each molecule is conjugated to a DNA-oligomer that encodes its chemical structure. The composition of a DEL mixture can be readily interrogated before and after interaction with a protein target by Next Generation Sequencing, and small-molecules that selectively bind the target identified.
We’re excited to invite you to a webinar on this topic that Dr. Alex Satz, senior director of DEL strategy and operations at WuXi AppTec, will talk about the current learnings in DEL design, synthesis, and screening, followed by a presentation from Dr. Andreas Brunschweiger of TU Dortmund University on research demonstrating the role of cheminformatics and DNA-encoded chemistry in compound identification.
Alex Satz has 15+ years experience building DNA encoded library (DEL) platforms, and is currently the senior director of DEL strategy and operations at WuXi AppTec. Prior to WuXi AppTec, Alex led the Roche DEL platform in Basel Switzerland, and helped to develop the first industrial-scale DEL platform at Praecis Pharmaceuticals and GlaxoSmithKline.
Andreas Brunschweiger is a group leader at the Departmend of Chemistry and Chemical Biology of TU Dortmund University. His current research interests include the development of computer-assisted tools for DNA-endoced library design, synthesis and encoding strategies that expand the chemical space of DNA-encoded libraries, and asssays for hit identification.
In commercial research and development projects, public disclosure of new chemical compounds and reactions often takes place in patents. Only a small proportion of these compounds are published in journals, usually a few years after the patent. Patent authorities make available the patents but do not provide systematic continuous chemical annotations. Different text-mining approaches exist to extract chemical information from patents but less attention has been given to relevancy of a compound in a patent. Relevancy of a compound to a patent is based on the patent’s context. A relevant compound plays a major role within a patent. Identification of relevant compounds reduces the size of the extracted data and improves the usefulness of patent resources (e.g. supports identifying the main compounds). Annotators of databases like Reaxys only annotate relevant compounds.
Using the advanced technologies in Artificial intelligence (AI), Machine learning (ML) and Natural language processing (NLP), we have developed models to overcome these limitations. Through shared evaluation campaign we have also invited academic and industrial teams to further develop, improve and contribute to the domain of patent information extraction.
The webinar will discuss:
- The challenges of patent mining in the chemical domain
- Chemical information extraction. From relevant document to relevant section to relevant information.
- How to create a quality training set for machine learning in Chemistry
- The ChEMU shared task for name entity and event extraction
Saber Akhondi obtained his MSc degree in Bioinformatics and Systems Biology from Chalmers University of Technology, Sweden. In 2011 he started as a PhD student within the biosemantics group in Erasmus Medical Center Rotterdam. He currently works at Elsevier as a Principle NLP Scientist where he applies NLP and machine learning techniques to extract information useful for large commercial and research communities.
Changxia Yuan,Senior Research Investigator, Bristol Myers Squibb and Scott Newman, Customer Consultant, Elsevier
Drug development is the process of bringing a new pharmaceutical drug to the market once a lead compound has been identified through the process of drug discovery. Chemical development of the synthetic/production process impact go/no go decisions of lead molecules. These include
•Developing or inventing new routes for important process intermediates at scale
•Optimizing reaction conditions for multiple routes based on novel reactants
•Yield considerations at each step
Each of these will be examined using a small molecule Hepatitis C nucleotide polymerase inhibitor that has been developed by BMS as a model.
Many already approved drugs are currently being tested (repurposed) for prevention and treatment of COVID-19 infections and symptoms. To maximize repurposing and treatments success, you need to be fully informed on all regulatory DMPK, efficacy and drug safety data available on EMA and FDA approved drugs.
Elsevier’s PharmaPendium provides access to full text searchable FDA/EMA drug approval Documents, manually extracted data, expert taxonomies and prediction tools. Thereby it is ideally positioned to support COVID-19 repurposing and treatments effort.
In this webinar, PharmaPendium product manager Thomas Vargues and senior marketing manager drug safety Marnix Wieffer will show various PharmaPendium search strategies that are currently being used by pharmaceutical and healthcare customers.
For this webinar they will focus on DMPK and DDI risk prediction workflows. For example:
1.How does patient complications influence therapeutic PK profile and exposure?
2. What DDIs can I expect now I am creating uncommon drug combinations?
3.How to use Pharmacokinetic data to model exposure in COVID-19 patients?
Getting answers to these critical questions can support drug repurposing efforts and reduce risk for patients.
Many already approved drugs are currently being tested (repurposed) for prevention and treatment of COVID-19 infections and symptoms. To maximize repurposing and treatment success, you need to be fully informed on all regulatory DMPK, efficacy and drug safety data available on EMA and FDA approved drugs.
Elsevier’s PharmaPendium provides access to full text searchable FDA/EMA drug approval Documents, manually extracted data, expert taxonomies and prediction tools. Thereby it is ideally positioned to support COVID-19 repurposing and treatments efforts.
In this webinar PharmaPendium product manager Thomas Vargues and senior marketing manager drug safety Marnix Wieffer will show various PharmaPendium search strategies that are currently being used by pharmaceutical and healthcare customers. For this webinar they will focus on drug safety and efficacy workflows. For example:
1.What adverse effects can I expect when dosing above approved therapeutic dose?
2.What medication could aggravate COVID-19 disease symptoms and should be avoided?
3.What approved drugs have been tested against COVID-19 related indications, endpoints, symptoms or targets?
Getting answers to these critical questions can support drug repurposing efforts and reduce risk for patients.
Genetic causes and associations of disease remain important areas of research so that our society can better prevent and treat diseases.
Finding such genetic variation information within published literature remains a challenge due to the large volume and heterogeneity of articles, and the intense rate of publication in these fields.
In this webinar we will cover:
•How to find the context, not just the word
•some use cases for text mining genetic variation data
•show how we have developed a solution that enables researchers to quickly find genetic variations in the literature
•Explore how you can leverage a semantic search solution to identify disease-related genetic variation information to address your research needs.
Join George Jiang, Product Manager, Elsevier Text Mining solution and learn how to build your own solution with our text mining solution for searching for various genetic variation types.