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Drug Hunter
United States
Приєднався 26 кві 2022
Drug Discovery Distilled for Industry Scientists by Industry Scientists\t
Drug Hunter’s goal is to provide an inclusive platform that empowers, educates, and connects professional drug hunters, and celebrates the important work being done by the heroes in our industry.
Drug Hunter’s goal is to provide an inclusive platform that empowers, educates, and connects professional drug hunters, and celebrates the important work being done by the heroes in our industry.
AI-First Drug Design: Accelerating the Discovery of New Therapeutics
There is growing interest around the application of artificial intelligence in drug design and discovery. Advanced computational and AI-driven methods have the potential to transform the field by accelerating, augmenting and enhancing drug design, the development process, and clinical trials.
In this Flash Talk, Rebecca Paul shares her insights on how Isomorphic Labs is applying AlphaFold 3 along with other breakthrough AI models to advance the rational design and optimization of small molecules. She also answers audience questions live after the presentation.
00:00 Welcome and introduction
8:25 Overview of Drug Hunter features - Patent Engine/Structure Search
11:50 Presentation
49:08 Q&A
If your company doesn’t have a subscription yet, reach out here to inquire about access: drughunter.com/plans
Presented by Rebecca Paul, Ph.D. with host Dennis Koester, Ph.D. Director of Industry Research and Relations, Drug Hunter.
Recorded on December 12th, 2024, as a Drug Hunter Flash Talk.
Sign up to be notified of future sessions here: drughunter.com/flash-talk-series-registration
Sign up for our free newsletter here: drughunter.com/newsletter-sign-up
In this Flash Talk, Rebecca Paul shares her insights on how Isomorphic Labs is applying AlphaFold 3 along with other breakthrough AI models to advance the rational design and optimization of small molecules. She also answers audience questions live after the presentation.
00:00 Welcome and introduction
8:25 Overview of Drug Hunter features - Patent Engine/Structure Search
11:50 Presentation
49:08 Q&A
If your company doesn’t have a subscription yet, reach out here to inquire about access: drughunter.com/plans
Presented by Rebecca Paul, Ph.D. with host Dennis Koester, Ph.D. Director of Industry Research and Relations, Drug Hunter.
Recorded on December 12th, 2024, as a Drug Hunter Flash Talk.
Sign up to be notified of future sessions here: drughunter.com/flash-talk-series-registration
Sign up for our free newsletter here: drughunter.com/newsletter-sign-up
Переглядів: 380
Відео
Strategic Use of the Necessary Nitrogen Atom for Property-based Drug Design
Переглядів 59212 годин тому
Small molecule drug design has evolved remarkably over the past several decades, and property-based drug design in particular has evolved considerably since its emergence over 25 years ago. In this Flash Talk Lew Pennington will show how the “necessary nitrogen atom” can be leveraged for holistic property-based drug design, and will include an historical overview, key concepts, and several case...
Advancing Macrocycles in Drug Discovery
Переглядів 92014 днів тому
00:00 Welcome and Introduction 09:41 Presentation 45:24 Q&A The slide deck from this Flash Talk will be available for Drug Hunter Premium members to access and download here: drughunter.com/articles/advancing-macrocycles-in-drug-discovery In this Flash Talk, Kat Leftheris highlights how advances in our understanding of ADME requirements, screening technologies, synthetic chemistry, formulations...
Coffee Chat - From Structure to Insights
Переглядів 25021 день тому
00:00 Welcome and Introduction 01:24 Case Study of VVD-214 with Lew Pennington 12:30 Conference Coverage and First Time Disclosure with Shaima Quines 25:35 Patent Search Toll and Highlights with Matt Hesse 33:11 Molecules of the Month with Rory McAtee 42:59 New Structure Search Capabilities with Dennis Koester 54:07 Q&A and Closing Remarks If your company doesn’t have a subscription yet, reach ...
The Chemist's Playbook: Impactful Bioisosteres for Modern Drug Design
Переглядів 1,8 тис.Місяць тому
In this Flash Talk, Nicholas Meanwell explored the history of bioisosterism. He presented a series of case studies featuring both established and emerging bioisosteres, highlighting how they have been utilized to address various challenges in drug discovery. Examples for isosteres of carboxylic acids, amides, phosphates, phenyl groups and hydrogens were discussed. The journey focused on molecul...
Patent Pulse: A Spotlight on Recent Highlights from Small Molecule Patents
Переглядів 1,2 тис.Місяць тому
Patents and patent applications often encapsulate the most sought-after chemical matter pursued by biotech and pharma companies. For medicinal chemists, monitoring the vast patent literature beyond your immediate targets can be daunting yet potentially transformative. A patent on a different target might describe some chemical matter or data that could significantly advance your project. It's e...
Dose Number as a Tool to Guide Lead Optimization of Orally Bioavailable Compounds
Переглядів 1,3 тис.Місяць тому
In general, more soluble compounds have improved oral absorption. While enabling formulation technologies exist to improve bioperformance for low solubility compounds, these are often more complex, expensive, and challenging to scale up. In this Flask Talk, Peter Wuelfing and Abdellatif ElMarrouni presented a tool to avoid these development issues. Medicinal chemists need tools to rapidly profi...
Roles of the Chloro and Methoxy Groups in Drug Discovery
Переглядів 1,7 тис.2 місяці тому
Small functional groups can greatly influence the interactions of a small-molecule ligand with the binding pocket of a protein or nucleic acid. Possible steps that a medicinal chemist could take to optimize a phenyl-containing hit molecule are summarized in the Topliss tree. The most important substituents that one encounters in this flowchart are chloro, methyl, and methoxy. Although the role ...
Database Search (with captions)
Переглядів 762 місяці тому
By utilizing the Drug Hunter Structure Search, you can explore numerous clinical candidates and FDA-approved drugs that contain your motif of interest. This tool can help you understand the context in which functional groups have been used in FDA-approved drugs. It also provides an overview of the molecules approved in any given year and the targets they were approved for. All structures in the...
Structure Search (with captions)
Переглядів 712 місяці тому
By utilizing the Drug Hunter Structure Search, you can explore numerous clinical candidates and FDA-approved drugs that successfully incorporate your motif of interest. This tool can help refine your design ideas and bring you one step closer to discovering your next clinical candidate. Learn more at drughunter.com If your company doesn’t have a subscription yet, reach out here to inquire about...
Tackling MedChem Bias One Functional Group at a Time
Переглядів 2,4 тис.2 місяці тому
As medicinal chemists, we all have biases when looking at molecules and even just at functional groups. We occasionally encounter functional groups in drug candidates that are far from typical. Some groups may seem unusual at first glance, raising questions about their previous use and the specific impact they have on a compound's properties. In this Flash Talk, Gilles Ouvry, explores four func...
Mastering hERG: Med Chem Strategies for Mitigating Cardiotoxicity Risks
Переглядів 1,9 тис.3 місяці тому
In the pursuit of safer drugs medicinal chemists often face the challenge of mitigating cardiotoxicity liabilities that are linked to hERG (human Ether-à-go-go-Related Gene) ion channel inhibition. In this Coffee Chat our team discusses some of the strategies and tactics medicinal chemists use to minimize hERG-related risks during lead optimization. They explore innovative design principles for...
The Medicinal Chemist's Guide to Solving ADMET Challenges
Переглядів 2,9 тис.4 місяці тому
Early ADMET (absorption, distribution, metabolism, excretion and toxicity) profiling in small molecule drug discovery has significantly reduced later-stage failures due to inadequate pharmacokinetics and safety liabilities over the past two to three decades. A wealth of knowledge on design strategies to address common ADMET issues has been compiled in "The Medicinal Chemist’s Guide to Solving A...
2023 Drug Approval Highlights
Переглядів 1,4 тис.4 місяці тому
Last year, the FDA green-lit 34 new small molecule drugs, marking a year of significant breakthroughs in drug discovery. Watch this engaging Flash Talk where Dennis X. Hu, Lewis Pennington and Dennis Koester highlight the most exciting drug discovery stories and deep-dive into the most compelling case studies of small molecule drugs approved in 2023. This session explores innovative treatments ...
Coffee Chat: Unusual Motifs in Recent Clinical Candidates and Approved Drugs
Переглядів 1,7 тис.4 місяці тому
As medicinal chemists, we're all curious about the structures of clinical candidates and drugs. In this Coffee Chat Dennis Hu, Lew Pennington, and Dennis Koester, highlight selected unusual motifs in clinical candidates and approved drugs using Drug Hunter’s new Structure Search tool, demonstrating how you can use the tool to generate ideas and pressure-test your designs before synthesis or ext...
Design Principles in the Beyond Rule of 5 Space
Переглядів 2,1 тис.5 місяців тому
Design Principles in the Beyond Rule of 5 Space
VC Biotech Investing and Company Creation 101
Переглядів 8585 місяців тому
VC Biotech Investing and Company Creation 101
Minds & Molecules: Lessons from Alzheimer's Research
Переглядів 1,1 тис.6 місяців тому
Minds & Molecules: Lessons from Alzheimer's Research
Drug Induced Liver Injury - A Medicinal Chemist's Perspective
Переглядів 2,3 тис.6 місяців тому
Drug Induced Liver Injury - A Medicinal Chemist's Perspective
A Guide to Generative AI for Medicinal Chemists, Presented by Ashwini Ghogare, Ph.D.
Переглядів 1,8 тис.6 місяців тому
A Guide to Generative AI for Medicinal Chemists, Presented by Ashwini Ghogare, Ph.D.
Analysis of Successful Hit-to-Clinical Candidate Pairs
Переглядів 2,2 тис.7 місяців тому
Analysis of Successful Hit-to-Clinical Candidate Pairs
How GLP-1 Receptor Agonists Evolved from Diabetes to Weight Loss Treatments
Переглядів 5 тис.9 місяців тому
How GLP-1 Receptor Agonists Evolved from Diabetes to Weight Loss Treatments
A Med Chemist's Guide to Formulation Options to Improve Oral Bioavailability
Переглядів 2,8 тис.Рік тому
A Med Chemist's Guide to Formulation Options to Improve Oral Bioavailability
Recent Highlights in Covalent Drug Discovery
Переглядів 3,6 тис.Рік тому
Recent Highlights in Covalent Drug Discovery
Excellent talk!
Great talk ⚗️🧪
👍🏻
Seattle, USA
Great talk
You guys are awesome
Great talk... very educational and informative medchem talk!
Very nice....interesting...and informative
Great talk. Learned alot. Thank you so much
I want to do this for work but we don't have this industry in my country
Great video! Lots of insight.
O'Kon Parks
I couldn't follow you online as the time of the presentation is late night here in Australia.
Thank you Drug Hunter and all the guest speakers for your great help to the medicinal chemists.
very informative and i did enjoy it!
Excellent overview, providing many insights. Thank you!
great format. looking forward to more discussions
What an amazing review! Thanks Anh.
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Treat infections before the take over the human brain with damage and inflammation infection that’s toxic to any human neuron’s….. my neurologist wouldn’t so bye bye lost soul waste less useless service all to make a coin off anti epileptic drugs or many others lol thanks again for letting the issues cause me brain damage so I can have a life long chronic issue needing neurologist prescribed drugs. Nothing to say here about the non obstructive hydrocephalus deemed dementia a lot of the time LOL AGAIN WOW just ignore infection and physiology of the brain. Let it continue to have occurring damage inflammation neurodegenerative issues that could be attenuated but get ignored. Bye useless health services let me rot then. Been there done that seen neurologists up through the I iverstity network first 2014 then by 2020 my ventricles were so large I endured years of hydrocephalus I assume causing the epilepsy they said had no cause. lol again disappointing people look so highly to these places of fake therapy. I couldn’t get the autoimmune work up even though I told my neurologist steroids had me seizure free for almost 2 years again nothing their stupid anti epileptics could do….. Yes I see through them now after 4 neurologists of not ruling out my ear fullness been there for 14 years now same amount of years the seizures …. Chronic infections present with non acute signs and symptoms. I suppose lvl may have mastoiditis all ignored and not ruled out as causing me infection close or in my brain nor the autoimmune…. So just know they like to diagnose and adios quick to do such without proper work ups. No specialists would make sure I had no infection. The side my ears full hurts can’t sleep on it or it feels horrible the next day, hmmm!? Makes one like me think, RETHINK each thing I’m told. Wow even though an MRI SAID IT WAS INFECTION of MASTOID bilateral, 8 years after it became full one day only one ear. Told it’s not infection not an issue not a cause but it feels different the the other side it’s the side seizures are coming from and I see through all these types of people now after 14 years of studying them and their actions through my treatment and it’s only been a pill. Only thing required was to look for brain tumour in my MRI by them….. lol not safe. That’s not the only way physically a seizure can be produced in the human brain. Neurologists also disregard autoimmune issues and any physical issues like with the spine/nervous system…. Not safe for the patient.
Thank you for the nice presentation. Does this mean that current ABeta targeting therapeutics such as donanemab could lead to increased infections in patients under treatment?
Wow not good since infections and inflammation can cause amyloid….. leave the infection or inflammation not targeted and get a patient with memory and cognitive issues…. Time to play drug deals…..
Informative presentation, thank you
Thank you so much Dennis for bringing these great people to share their knowledge.
Simply awesome.
How much AI assistance the team makes use of while writing these super exciting articles and how do you foresee AI contributing further in your journey. Thanks Gagan Kukreja
Hi Gagan, Thank you so much for this important question. We utilize ML and AI tools to helps us research and filter the vast amount of publications, patents and other sources produced every month. However, our validation and selection process is performed by experts in the field. All of our content is human-written and not generated by generative AI. Looking ahead, we envision further leveraging AI in research and in enhanced search, but it is hard to imaging AI displacing the level of scientific talent on the team!
Super inspiring. Besides compiling and sharing the literature, how important is for the Drug Hunter team to share their own independent insights, expert opinion/readout on the molecule being covered. Thanks Gagan Kukreja
Hi Gagan, Thanks for your kind words. At Drug Hunter, our mission is to share the knowledge and learnings acquired by drug discovery teams across the industry with scientists actively engaged in the drug discovery. We aim to facilitate easy access to the primary sources we use, enabling our readers to delve deeper into specific topics if the wish. In "Molecules of the Month" and "Patent Highlights" we follow a rigorous editorial selection process, as detailed by Dennis here: drughunter.com/blog/how-do-you-choose-the-molecules We believe that providing expert opinions is crucial, and we ensure our expressed opinions are well-grounded in facts and thorough analysis. Hope that helps.
could you list the reference for covalent binding to the backbone amine, it's really interesting! thank you!
This was very well summarized.
Good job nice
RLAY PI3K sucks
Thank you drug for sharing your talent of clear understanding in organized way.
I would love to see more presentations on process stories
Hi Dennis. I think there may be a misunderstanding. The EPSA means "exposed PSA" not experimental PSA. Please refer to the literature ACS Med. Chem. Lett. 2014, 5, 1167−1172; ACS Med. Chem. Lett. 2022, 13, 6, 964-971. As you mentioned, the intramolecular hydrogen bond of RMC-6291 may sheild the polarity of morpholine and amide, which results in a similar EPSA with compound 5
Thank you for your comment! In the original Pfizer paper(s), EPSA (an experimentally determined value from chromatography) was named EPSA in analogy to their previous experimental measure, ELogD (see AMCL 2014). While the "E" wasn't defined in the paper, many started to refer to this as experimental PSA and others exposed PSA, though people are all generally referring to this method.
You have to study chemistry for these kind of tasks or is it possible with pharmacy as well?
A person with a strong background in Organic Synthesis will best succeed in the area of process chemistry. Significant training in a Ph.D program along with post-doctoral training focusing in total synthesis of complex natural products is a likely optimal route for one to pursue, however, that's not to say that a chemist with extensive training in organic methodologies development and applications to total synthesis of natural products could not success just as well. I came from a Medicinal Chemistry graduate program and we had many people with Pharmacy backgrounds who succeeded very well in synthetic chemistry careers. Overall, it's important to understand a breadth of organic reactions, mechanistic understanding and hands on applications from milligram to multi-gram scale. To transition to process, a deep understanding of physical organic chemistry becomes important since these considerations must be accounted for when working on kilogram scales. I worked in a pharma med chem lab for a decade and now in project management for the federal government, and hold process chemists in the highest respects for their elegance and optimization of initial synthetic routes. Good luck in you endeavors ~John
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