EFMC-ASMC 2023

Title to be announced

Dr Tatiana BESSET

INSA OF ROUEN, Mont-Saint-Aignan, France

Title to be announced

Prof. Jeffrey BODE

ETH ZURICH, Zürich, Switzerland
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Prof. Jeffrey BODE

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http://www.bode.ethz.ch

MicroCycle: A Machine Learning Driven, Automated and Integrated Platform for Drug Discovery

Dr Cara BROCKLEHURST

NOVARTIS, Basel, Switzerland
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Dr Cara BROCKLEHURST

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"MicroCycle: A Machine Learning Driven, Automated and Integrated Platform for Drug Discovery"

What if we could develop an integrated drug discovery platform to accelerate drug discovery, which utilises micro-scale chemistry, real-time biological and physicochemical characterisation and machine learning driven compound design? At NIBR this is a reality! Our automated medicinal chemistry ‘design-make-test-analyse’ cycle is powered by machine learning, enables sequential multi-parameter optimisation and generates knowledge in a timeframe never before possible. We have built MicroCycle; a modular technology platform which benefits from recent advances in plate based micro-scale chemistry, micropurification,[1]in-situ quantification and machine learning thus ensuring rapid access to high quality chemical matter already formatted for assay. Furthermore, by reorienting existing high throughput assay technology we can generate a full package of relevant data on each set of compounds in every learning cycle.

Next Generation Design-Make-Test-Analysis-Cycles

Dr Clara CHRIST

BAYER, Berlin, Germany
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Dr Clara CHRIST

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"Next Generation Design-Make-Test-Analysis-Cycles"

Digital tools are changing the way scientists are working in drug discovery projects. We will show examples how scientists can profit from the recent advances in machine learning and physics-based computational approaches. Examples from our research will be given.

Making Difficult-to-Make Molecules: Photochemistry as an Enabling Tool

Dr Susannah COOTE

UNIVERSITY OF BATH, Bath, United Kingdom
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Dr Susannah COOTE

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"Making Difficult-to-Make Molecules: Photochemistry as an Enabling Tool"

Application of photochemical transformations in creative synthetic approaches to interesting strained products, especially four-membered rings.

Why Chemputers Will Dream of Electric Drugs

Prof. Leroy CRONIN

UNIVERSITY OF GLASGOW, Glasgow, United Kingdom
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Prof. Leroy CRONIN

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"Why Chemputers Will Dream of Electric Drugs"

Can chemputers, robots that can potentially make any molecule, take AI-designs of drugs and make them in the lab? In this talk Lee Cronin will discuss chemputation, the process of turning code into molecules, the use of theory to design new makable molecules, and the concept of a chemical programming language to help all chemists around the world exchange reproducible laboratory protocols.

Title to be announced

Prof. Darren J. DIXON

UNIVERSITY OF OXFORD, Oxford, United Kingdom

Making and Breaking of C-S Bonds Using Metal Catalysis

Prof Ivana FLEISCHER

UNIVERSITY OF TÜBINGEN, Tuebingen, Germany

Title to be announced

Prof. Rebecca GOSS

UNIVERSITY OF ST ANDREWS, St Andrews, United Kingdom

Chemical Probes and their Relevance for Drug Discovery Programs – Examples from the Endocannabinoid System

Dr Uwe GRETHER

F. HOFFMANN-LA ROCHE, Basel, Switzerland
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Dr Uwe GRETHER

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"Chemical Probes and their Relevance for Drug Discovery Programs – Examples from the Endocannabinoid System"

Chemical probes are of utmost importance for bringing drugs from the laboratory through the clinic and ultimately to the market. Optionally, they can carry one or more additional reporter groups to meet specific application requirements. Chemical probes support and affect all research and discovery phases: target verification and validation; assay development; lead optimization; and biomarker engagement in the context of preclinical studies and human trials. On the example of the cannabinoid receptor type-2 (CB2R) and monoacylglycerol lipase (MAGL), two highly health-relevant targets of the endocannabinoid system, the design, synthesis and application of chemical probes in different research and development stages will be discussed.

Novel Modes of Enzyme Inhibition

Dr Anders JOHANSSON

ASTRAZENECA, Molndal, Sweden
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Dr Anders JOHANSSON

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"Novel Modes of Enzyme Inhibition"

Achieving good oral bioavailability and high potency can be a challenge, especially for intracellular protein targets. For certain enzymes, we have discovered a novel mode of inhibition, allowing for the optimization of permeability and bioavailability, but at the same time achieving high potency inhibitors of the target enzyme.

Multicomponent Alkene Cross-Coupling by Base Metal Catalysis

Dr Ming Joo KOH

NATIONAL UNIVERSITY OF SINGAPORE, Singapore, Singapore

Can Chemistry Generate Biological Questions?

Prof. Nuno MAULIDE

UNIVERSITY OF VIENNA, Vienna, Austria
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Prof. Nuno MAULIDE

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"Can Chemistry Generate Biological Questions?"

Can chemical curiosity be the driving force behind biology? In this talk we will address selected case studies from our own research which aim to showcase how chemical ingenuity and “blue skies curiosity” can be harnessed for valuable contributions to biological problems.

From BRD4 to KRAS: 12 Years of Oncology Small Molecules

Dr Darryl MCCONNELL

BOEHRINGER INGELHEIM, Vienna, Austria
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Dr Darryl MCCONNELL

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"From BRD4 to KRAS: 12 Years of Oncology Small Molecules"

Twelve years ago, one of the hottest oncology targets was the epigenetic reader protein BRD4 which contains a highly druggable pocket for small molecules. Now the field is focused on drugging KRAS which contains arguably the most difficult to drug pocket medicinal chemists have faced to date. The talk will replay the highlights and challenges of this twelve year journey at Boehringer Ingelheim.

Flow-enabled Synthesis of Fluorinated and Fluoroalkylated Moieties

Prof. Timothy NOËL

UNIVERSITY OF AMSTERDAM, Amsterdam, The Netherlands

Synthesis of Glycosylated Natural Products or Analogues of Biological Interest

Dr Stéphanie NORSIKIAN

INSTITUT DE CHIMIE DES SUBSTANCES NATURELLES, Gif-sur-Yvette, France

Title to be announced

Dr Johannes PLATZEK

BAYER, Wuppertal, Germany

Enabling Technologies to Drive the MSD Portfolio

Dr Rebecca RUCK

MERCK, SHARP & DOHME, Rahway, United States
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Dr Rebecca RUCK

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"Enabling Technologies to Drive the MSD Portfolio"

The development and application of new enabling technologies is critical to the ideal preparation of our Active Pharmaceutical Ingredients. This talk will include how we think about these investments and recent utilization.

Title to be announced

Dr Marwin SEGLER

MICROSOFT RESEARCH, Cambridge, United Kingdom

Natural Product Synthesis Through the Lens of Informatics

Prof. Ryan SHENVI

SCRIPPS RESEARCH, La Jolla, United States

Discovery of the First Orally Efficacious Small Molecules Disrupting the YAP-TEAD Interaction by Direct Competition

Dr Nicolas SOLDERMANN

NOVARTIS, Basel, Switzerland

Dr Owen WALLACE

MONTE ROSA THERAPEUTICS, Boston, United States
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Dr Owen WALLACE

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"Taking Molecular Glue Degraders to New Heights"

Targeted protein degradation has become a major focus for biotech and pharma over the last 5-10 years. Although molecular glue degraders (MGDs) have achieved significant clinical and commercial success, they have historically been discovered by serendipity. At Monte Rosa, we have established a platform, named QuEENTM (Quantitative and Engineered Elimination of Neosubstrates), that enables us to rationally discover and optimize molecular glue degraders. The QuEEN platform has generated a portfolio of programs across oncology, autoimmunity/inflammation and rare diseases which will be discussed.