An overview of community activity until the year-end with a review of how #AI and #ML are disrupting drug discovery

It gives me great pleasure to bring you this month’s #CoffeeBuddies Newsletter.? Within this, there is a strong focus on ways AI / ML is transforming drug discovery and also AI Powered Portfolio Management.? It is this AI / ML powered #drugdiscovery and #drugdevelopment that is often termed #TechBio.?

This focus on #TechBio is following our Agile Leaders thought-leadership event on Modern Drug Discovery Part 1 sponsored by CCDC - The Cambridge Crystallographic Data Centre that was held on the 20 July.? Our main contact for this event at CCDC is Jonathan Betts , Head of Business Development.

We have an Agile Leaders Modern Drug Discovery Part 2 at the CCDC head office in Union Street, Cambridge on the afternoon of 13 September, this time sponsored by Pelago Bioscience AB .? Only four tickets remain for this Part 2, so I advise you to book quickly if you'd like to attend.? To find out more information about this event go to Eventbrite:? https://www.eventbrite.co.uk/e/690061571737?aff=oddtdtcreator

For those that complete this Newsletter, you will also find a free Premium Upgrade discount code worth $295 for the upcoming Biotechgate Digital Partnering event which is from 28 Aug – 1 September 2023. ??During this Digital Health Innovation partnering event we will be putting on #coffeebuddies sessions at 1-2 pm BST and 6-7 pm BST on Tues 29 Aug, Wed 30 Aug, Thurs 31 Aug, and just one session between 1-2 pm BST on Friday 1 September.? We hope to see you there! ??

Biotechgate Digital Partnering is the most cost-effective Health Innovation international event you will ever go to, and it attracts hundreds of delegates from around the globe. ?No travel, no hotels, no fees for the #coffeebuddies community so you can enjoy the event from the comfort of your desktop.? What more could you ask for??

Graham Combe’s TakeAway Points from the #AgileLeaders Modern Drug Discovery, Part 1:

When discovering New Chemical Entities (NCEs) in #DrugDiscovery, not much has changed in the overriding process over the last 40 years.? However, with the advent of new techniques and powerful new computing power with AI and ML, some of the steps in this process are speeded up and NCEs are often found more quickly, and sometimes NCEs are found that may not have been spotted with more traditional scientific “noodling.”?

Also, there are many new scientific techniques, like Pelago Bioscience’s CETSA method, that allow you to test whether a NCE is bonding to the target protein or not, enabling the scientist to move forward more confidently or to kill the experimental work on the NCE more quickly, dependent on a positive or negative result respectively.? For more details on this contact Sean Tyacke .

AI and ML are the biggest disruptors in the way we do drug discovery today, and every innovative biotech should adopt these techniques in the various steps in the drug discovery process.? One of the most significant steps that is transformed by AI/ML is in accelerating Lead Optimization.?

AI and ML: Accelerating Lead Optimization in Drug Discovery

Drug discovery is a complex and time-consuming process that involves identifying potential drug candidates, optimizing their efficacy, and ensuring their safety. Traditionally, this process has relied heavily on trial and error, making it resource-intensive and slow. However, with the advent of Artificial Intelligence (AI) and Machine Learning (ML) technologies, the landscape of drug discovery has transformed dramatically. In this article, we will explore how AI and ML are accelerating lead optimization in drug discovery, leading to faster and more efficient drug development.

1. Target Identification and Validation

One of the key steps in drug discovery is identifying and validating the right biological targets. AI and ML techniques are revolutionizing this process by analyzing vast amounts of biological and chemical data to pinpoint potential drug targets more accurately. Machine learning algorithms can sift through genomics, proteomics, and other omics data to identify potential targets associated with specific diseases. This saves significant time and resources by narrowing down the search space for drug development.

2. Predictive Modeling for Drug Design

AI and ML are also instrumental in predicting the properties and interactions of drug molecules. Through predictive modeling, machine learning algorithms can assess the binding affinity of a drug candidate to its target receptor and predict its potential efficacy and safety profile. This enables researchers to prioritize the most promising drug candidates early in the drug development process, accelerating the lead optimization phase.

3. De Novo Drug Design

AI and ML have opened up new avenues for de novo drug design, where drugs are designed from scratch rather than relying on existing compounds. Generative models, such as generative adversarial networks (GANs) and recurrent neural networks (RNNs), can generate novel drug-like molecules with desired properties. These molecules can then be synthesized and tested for their potential as drug candidates, significantly speeding up the lead optimization process.

4. High-Throughput Screening

High-throughput screening is a crucial step in drug discovery, where thousands of compounds are tested for their activity against a target. AI and ML have revolutionized this process by automating the screening process and analyzing the vast amounts of data generated. Machine learning algorithms can recognize patterns in the data, identify active compounds, and optimize screening protocols to improve efficiency and accuracy.

5. Personalized Medicine

AI and ML have the potential to bring personalized medicine to the forefront of drug discovery. By analyzing patient data and genetic profiles, machine learning algorithms can identify patient subgroups that are more likely to respond positively to a particular drug. This allows for targeted drug development and improves the chances of successful clinical trials, reducing overall costs and time for drug development.

6. Drug Repurposing

Repurposing existing drugs for new therapeutic indications has gained popularity due to the rising costs and time associated with developing new drugs from scratch. AI and ML play a crucial role in drug repurposing by analyzing large datasets to identify drugs with potential efficacy against different diseases. This approach not only speeds up the lead optimization process but also offers cost-effective solutions for drug development.

7. Safety Prediction and Toxicity Assessment

AI and ML algorithms can predict potential safety issues and assess the toxicity of drug candidates. By analyzing historical data on adverse drug reactions and combining it with molecular descriptors, machine learning models can identify potential safety concerns early in the drug development process. This helps researchers prioritize safe and effective drug candidates and avoid costly late-stage failures.

8. Drug Combination Optimization

Combination therapy, where multiple drugs are used together, has become a prevalent approach in treating complex diseases. AI and ML can optimize drug combinations by analyzing drug interactions and predicting their synergistic effects. This approach can lead to more effective treatments with fewer side effects, contributing to the success of lead optimization in drug discovery.

Conclusion

AI and ML have become powerful tools in drug discovery, revolutionizing lead optimization and accelerating the development of new medicines. By leveraging vast amounts of data and employing advanced algorithms, researchers can identify promising drug candidates more efficiently, improve safety profiles, and bring personalized medicine to reality. As AI and ML continue to evolve, the future of drug discovery holds immense promise in the fight against diseases, ushering in a new era of more effective and accessible treatments for patients worldwide.

Details of new CRO Imaging Service in Leiden Europe by Nikon

·??????????The Nikon BioImaging Lab (NBIL) in Leiden in the Netherlands is a global Contract Research Organization with a strong focus on top-notch microscopic imaging services.

·??????????The NBIL provides a unique combination of state-of-the-art Nikon imaging equipment and a team of dedicated scientists, microscopists and biomedical analysts to provide our clients with the best data possible.

·??????????The NBIL provides a complete BioImaging solution for biotech and pharma companies - we thoroughly discuss your imaging needs and provide you with the best and most cost- and time-efficient path towards success - delivering the high quality imaging data you need and interpretations faster.?

Here’s the link to the website:?https://www.microscope.healthcare.nikon.com/bioimaging-centers/nikon-bioimaging-labs/leiden-nl.

For further details contact:?

Craig Blomeley, PhD

Business Development Manager – UK and Ireland

Nikon UK

Branch of Nikon Europe BV

E:?[email protected]

W:?www.microscope.healthcare.nikon.com

Using AI / ML in Drug Portfolio Management

On Wed 30 August at 6-7 pm BST Prof Tony Sedgwick will interview Remco Jan Geukes Foppen on the “Pop-Up” #coffeebuddies at the Biotechgate Digital Partnering event, here are more details:

Al-powered Portfolio Management

• ?AI in Portfolio Management - #AI can understand multiple markets and all of their attributes well enough to score pharmaceutical assets regeneratively and precisely at scalable throughput, a feat that traditional portfolio management, which relies on manual processes and intuition, can't achieve.
• Cash Crunch - Current macroeconomic factors, like high-interest rates, recovery from the global pandemic, and geopolitical tensions compounded by financial institutions falling, have led to a devaluation of the #biotech sector.
• Focus on prioritization - With investors holding on to their cash, an emphasis will be put on portfolio management and dealmaking for (capital) efficiency and strategy in order for pharma to restock their pipelines.
• ?More data from more data sources - With few late-stage assets, the hunt will be on for game-changing earlier stage assets. Earlier-stage asset valuation requires a different approach to the flow of data that is near infinite and continuously updated. These are near-optimal conditions for AI to scan and make sense of the data. Blind spots are reduced, and more considered decisions are facilitated.
• Timing - Progressive developments and trends, impact the value and risk associated with assets. Real-time monitoring facilitates anticipating changes and intercepting an opportunity, spot on time.
• Surge of New Assets - The FDA has initiated a discussion about the role of AI and Machine Learning in the broad context of the #drugdevelopment process, and the #pharma industry is responding by investing in AI-driven drug discovery. Countless ’AI-first biotech’ companies are stepping up to expedite drug discovery at an unprecedented scale and speed. This will put an emphasis on increasing asset valuation throughput, with efficient and explainable triaging.

If you would like more information about #AI powering portfolio management or deal making using AI, contact Remco at [email protected], and/or come to our #coffeebuddies on Wed 30 Aug between 6-7 pm BST (UK) where Remco is interviewed by Tony.

More on #coffeebuddies at Biotechgate Digital Partnering:

Furthermore, on Thurs 31 August on #coffeebuddies at Biotechgate Digital at 1-2 pm BST (UK) Prof Tony Sedgwick will interview Dr. Joanna Barbara, Head of Services at Bio-IVT on “Finding your perfect Biospecimen.”? Joanna Barbara is colleague of #coffeebuddies regular Darina Hynes, PhD :)

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Upcoming Agile Leaders, Biotech Buddies and other Event Dates for your Diary – more details to follow:

• 28 Aug – 1 Sept – Biotechgate Digital Partnering (BDP) www.digitalpartnering.com – Free Premium Upgrade Code:? vv5-BDP0823-48dc637
• 30 Aug at 6-7 pm BST – Pop-Up #coffeebuddies at BDP – AI Powered Portfolio Management - sponsored by Frontiere
• 31 Aug at 1- 2 pm BST - Pop-Up #coffeebuddies at BDP – Finding your perfect Biospecimen - sponsored by BioIVT
• 13 Sept – Agile Leaders with dinner at CCDC in Cambridge, sponsored by Pelago Bioscience AB
• 28 Sept – Agile Leaders on the "Journey of a biotech company - the dos, don'ts and hacks" & then Biotech Buddies in Reading, Berks sponsored by RSSL , Freeths & MHA.
• 10 Oct – Agile Leaders & Biotech Buddies in Oxford, sponsored by Mills & Reeve
• 17 Oct – Agile Leaders & Biotech Buddies in London, sponsor TBC
• 2 Nov – Agile Leaders & Biotech Buddies in London, sponsor TBC
• 16 Nov – Pharma Integrates, Central London – multiple sponsors
• 28 Nov – Agile Leaders & Biotech Buddies in Manchester, sponsor Mills & Reeve
• 30 Nov – Advanced Therapies Integrates in Stevenage
• 7 Dec – Genesis 2023, a One Nucleus Event, London
• 14 Dec – Agile Leaders & Biotech Buddies, London – Sponsor TBC

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Biotechgate Digital Partnering – 28 Aug – 1 Sept 2023 – FREE TICKETS

Well done for getting this far down our Newsletter, I hope you found it interesting and valuable (please like and comment below!!).? We at #coffeebuddies are very happy to keep our relationship going with the wonderful team at the Biotechgate Digital Partnering event which started for us during the pandemic in September 2020 (their first event was actually May 2020).?

The idea of Biotechgate Digital Partnering was to connect life science professionals who depend on new business connections during the pandemic.? Now the pandemic is over, we find there is still a use for this mechanism to continue informing, engaging and connecting in a cost and time-efficient manner.? It is great to meet new business contacts before meeting them face to face, and also network with ole acquaintances that we have built up on Biotechgate Digital Partnering over the last 3 years.

As I highlighted before, Tony Sedgwick and I are hosting the “Pop-Up” #coffeebuddies coffee breaks for most of this 5-day event, starting on the second day, Tuesday 29 August from 1 pm – 2 pm.? The link to each of our #coffeebuddies coffee breaks will be in your conference agenda, simply select which coffee breaks you would like to come to once you have registered and have set up your Agenda.? We will interview guest speakers at these #coffeebuddies, however, the main purpose is to bring serendipity to the event and help you network with various other senior business leaders from around the world.

As a special prize for getting this far down the #coffeebuddies newsletter, find a premium upgrade code you can use to get free Premium Access to the event worth $295.? It’s our little gift saying thank you for being part of our #coffeebuddies, #BiotechBuddies and #AgileLeaders community.? We hope to see you at the #coffeebuddies “Pop-Up” coffee break sessions.

Event website:? www.digitalpartnering.com

Free Premium Upgrade Code:? vv5-BDP0823-48dc637

Simply when registering put in the Upgrade Code when promoted.

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Have a great rest of day and I hope to see you soon.

Kind regards,

Graham Combe

E: [email protected]

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