What if AI could design a brand-new protein, from scratch, to tackle heart disease? That’s no longer science fiction. In a breakthrough collaboration, 310.ai and Arctoris have validated the first de novo protein from 310’s MP4 platform that binds ATP – a critical step towards restoring energy in failing hearts. Targeting the Root Cause of Heart Failure Heart failure affects over…

Integrating mechanistic enzymology with precision experimentation techniques and streamlined data simulation capabilities brings new levels of detailed understanding to the field of drug discovery and enables the comprehensive characterisation of the modes by which enzyme activators and inhibitors exert their effects. By integrating mechanistic enzymology with precision experimentation techniques and streamlined data simulation, we can…

Here’s why: 1️⃣ Shape-shifting Superstars: Macrocycles boast unique chemical properties that set them apart from conventional small molecules. Their grand cyclic structures grants them remarkable rigidity and a three-dimensional nature, allowing them to interact with biological targets like never before. With this structural diversity, macrocycles become a force to be reckoned with, displaying exquisite binding…

A lot of people asked me recently why kinetics in hashtag#drugdiscovery matter (mostly scientists, but some smart investors too! 🤓), so I thought I’d summarise: Kinetics is crucial in drug discovery because it helps to understand how drugs interact with their targets. Kinetic studies can provide valuable information about the drug’s pharmacological properties, including its…

The integration of machine learning (ML) into small-molecule drug discovery has long been heralded as the game-changer that would bring about rapid advancements in the development of new therapeutics. Despite significant investments and the creation of increasingly sophisticated models, the substantial improvements in efficiency and anticipated outcomes have yet to materialise. The reasons for this,…

Foundation Models and the Power of Proprietary Experimental Data In recent years, foundation models have revolutionised fields from natural language processing to image generation. Now, these powerful AI systems are transforming drug discovery. By learning generalisable patterns across chemical and biological data, foundation models are unlocking new opportunities to identify novel small molecules and biologics,…

Oxford-headquartered Arctoris progresses programmes from target to hit, lead, and candidate with superior efficiency, accuracy, and confidence. Key to the company’s capabilities is the unique combination of robotics and data science, enabling better data to be generated faster and better decisions made earlier.  Drug discovery is a series of decisions – which Target to focus on, which hit to progress,…

Molecular glues are small molecules that can bind to two or more proteins, facilitating their interaction and potentially leading to the formation of protein complexes that can modulate cellular pathways.In drug discovery, there are several experiments that can be used to design and optimize molecular glues: 🔬 Protein-protein interaction assays: These assays can help to…