Insilico Medicine’s latest AI-engineered drug ISM5411 could provide a novel approach for treating IBD

Alex Zhavoronkov, Ph.D.

Capping off a busy 2023, Insilico Medicine has announced a potentially first-in-class oral PHD inhibitor for the treatment of inflammatory bowel disease (IBD). ISM5411 is the fifth AI-backed drug candidate from Insilico Medicine to reach clinical stages.

ISM5411 targets prolyl hydroxylase domain (PHD) enzymes via modulation of the hypoxia-inducible factor (HIF) pathway, which is involved in cellular response to low oxygen levels. By inhibiting PHD, ISM5411 aims to stabilize HIF, thereby enhancing the expression of genes that help protect the gut lining and reduce inflammation.

AI’s role in ISM5411’s development

To develop ISM5411, InSilico tapped its AI platform, Pharma.AI. This involved deploying Chemistry42, a generative AI engine, which created the structure-based small molecule based on the PHD target protein structure. “After obtaining a series of lead compound…

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Using AlphaFold, Insilico Medicine produces AI drug discovery in record time

This is the AI-powered autonomous robotics lab called Life Star in Suzhou that Insilico opened in January. [Insilico Medicine]

Capitalizing on AI drug discovery, an international group of researchers employed DeepMind’s deep learning-driven AlphaFold protein structure database to swiftly design and synthesize a potential hepatocellular carcinoma (HCC) drug in only 30 days.

The AI drug discovery project consisted of Insilico Medicine, the University of Toronto’s Acceleration Consortium and researchers including Nobel laureate Michael Levitt. The team applied AlphaFold to Insilico’s end-to-end AI-powered drug discovery platform, Pharma.AI. With the integration of the biocomputational engine PandaOmics and the generative chemistry engine Chemistry42, the AI drug discovery project identified a novel treatment pathway for HCC and developed a potent inhibitor based on a predicted protein structure. Read more

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Using AlphaFold, Insilico Medicine produces AI drug discovery in record time

This is the AI-powered autonomous robotics lab called Life Star in Suzhou that Insilico opened in January. [Insilico Medicine]

Capitalizing on AI drug discovery, an international group of researchers employed DeepMind’s deep learning-driven AlphaFold protein structure database to swiftly design and synthesize a potential hepatocellular carcinoma (HCC) drug in only 30 days.

The AI drug discovery project consisted of Insilico Medicine, the University of Toronto’s Acceleration Consortium and researchers including Nobel laureate Michael Levitt. The team applied AlphaFold to Insilico’s end-to-end AI-powered drug discovery platform, Pharma.AI. With the integration of the biocomputational engine PandaOmics and the generative chemistry engine Chemistry42, the AI drug discovery project identified a novel treatment pathway for HCC and developed a potent inhibitor based on a predicted protein structure. Read more

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Fueling breakthroughs in pharma AI: 3 critical factors 

Image courtesy of Pixabay

Big data and AI offer massive opportunities to the pharmaceutical industry — in theory. In reality, many companies are struggling to realize the potential of these tools. Some organizations have been hesitant or resistant to leveraging the technologies. Others may have attempted to embrace them early on but are now beginning their second or third incarnations of “digital transformation,” likely with some layoffs along the way.

Why the difficulty? Digital transformation is, of course, a massive undertaking — requiring enterprise-wide coordination and a clear, focused vision. In the real world, organizations have struggled with defining a focus for their AI efforts and sustaining the investments necessary to reach them. It’s easy to get excited about the prospect of using AI to solve everything under the sun, but more often, successes are coming when teams stay focus…

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