InSilico Medicine

InSilico Medicine

Insilico Medicine is a biotechnology company developing next-generation artificial intelligence. Front. Genet. 5:49. Genet. 5:55.

Our mission statement and our pledge to our investors, friends and families:

Through excellence in knowledge management, machine learning and bioinformatics, relentless pursuit for new drug, omics and clinical outcomes data, development of reliable in silico drug screening methods, novel validation approaches and strong international partnerships in personalized medicine we strive to find real w

09/18/2024

Alex Zhavoronkov streaming live - check out the live broadcast!

07/05/2024
04/12/2024

Advancing the next generation of cancer immunotherapy with AI.

◾ Cancer immunotherapy, exemplified by PD-1 and its ligand PD-L1 blockade, has made remarkable advances, but just 20% to 40% of patients respond to these treatments.

◾ In the search for new ways to enhance the scope of tumor immunotherapy, researchers have discovered the potential of protein tyrosine phosphatase non-receptor type 2 (PTPN2) and its close superfamily member, PTPN1 -- crucial modulators involved in the regulation of immune cells signaling pathways. But developing inhibitors has faced obstacles.

◾ first discovered the dual PTPN2/N1 inhibitor ABBV-CLS-484 through structure-based drug design and optimization of drug-like properties.

◾ Now, Insilico Medicine has initiated a program with a fast-follow strategy to design a novel PTPN2/N1 inhibitor with drug-likeness properties and in vivo oral absorption, using the generative AI drug design engine Chemistry42.

The findings were published in the European Journal of Medicinal Chemistry.

https://medicalxpress.com/news/2024-04-team-ptpn2n1-inhibitor-cancer-immunotherapy.html

How A.I. is revolutionizing cancer treatment | Your Morning 04/11/2024

Generative AI is revolutionizing cancer treatments.

CTV showcases the work being done to discover and develop new cancer treatments using generative AI, and how Alán Aspuru-Guzik, director of the Acceleration Consortium at the University of Toronto worked with Insilico's Chemistry42 generative AI drug design platform to discover and design a new possible treatment for liver cancer in under 30 days.

Academia and industry have different goals, says Aspuru-Guzik. While he says "our goal in academia is to show a lot of leads," he notes that Insilico and other companies are advancing many of these discoveries into preclinical and clinical trials, including a number of new potential cancer treatments.

https://www.youtube.com/watch?v=04YsG_6hX6A

How A.I. is revolutionizing cancer treatment | Your Morning Artificial intelligence is taking the health-care sector by storm.Subscribe to Your Morning for the latest: http://bit.ly/2hX11GF Connect with Your Morning:F...

04/09/2024

New algorithm alert.

A team of researchers at Insilico Medicine just published on the feasibility of using a new algorithm called Quantum-assisted Fragment-based Automated Structure Generator (QFASG) in automated drug design.

◾ QFASG utilizes advanced chemoinformatic techniques to construct novel small-molecule structures from a library of molecular fragments.

◾ The algorithm employs a two-part approach: first, probes are strategically placed within target binding sites, and then structural growth occurs through iterative modules, resulting in the generation of diverse compound libraries.

◾ To demonstrate its effectiveness, the researchers successfully applied QFASG to generate new small-molecule inhibitors of two pharmacological targets involved in cancer pathogenesis -- ATM and CAMKK2 kinases.

The findings were published in Frontiers in Chemistry.



https://www.eurekalert.org/news-releases/1040453

04/03/2024

It's been a decade of AI drug discovery - who are the frontrunners?

A comprehensive new report from Andrii Buvailo of BiopharmaTrend.com takes an in-depth look at the timeline and pipeline trajectories of the major players in AI drug discovery.

◾ The timeline begins in 2012, when deep learning became a major trend and when over 80% of more than 500 AI-augmented drug discovery and development startups and scaleups recorded in BioPharmaTrend's database were founded.

◾ The report notes that the first AI-designed drugs began emerging in 2019, including Insilico's molecule for DDR1, developed in just 21 days and validated via in vitro and in vivo studies. That same year, Toronto-based Deep Genomics announced the “industry’s first AI-discovered therapeutic candidate” DG12P1, for Wilson disease.

◾ By 2022, several dozens of molecules from a handful of AI drug discovery companies were in clinical trials.

◾ The report includes a detailed chart of the lead players advancing AI drugs in preclinical and clinical stages, including ownership, target, and indication. The chart makes it easy to see at a glance the full extent of companies' pipelines, and where there has been significant forward momentum in advancing to later-stage trials.

◾ He writes: "It is noteworthy that the majority of Insilico Medicine’s AI-discovered programs are first-in-class drug candidates for high-novelty targets or best-in-class candidates for moderately novel targets. The company’s apparent ability to come up with novel targets consistently stems from its target discovery engine PandaOmics."

https://www.biopharmatrend.com/ai-drug-discovery-pipeline/

Artificial intelligence is taking over drug development 03/27/2024

The AI drug discovery era has arrived.

◾ A new feature story in The Economist delves into the substantial momentum happening in the industry which has consolidated around a few key players.

◾ They write: "The drug-discovery models many of the companies are working with can learn from a wide variety of biological data including gene sequences, pictures of cells and tissues, the structures of relevant proteins, biomarkers in the blood, the proteins being made in specific cells and clinical data on the course of disease and effect of treatments in patients. Once trained, the AIs can be fine tuned with labelled data to enhance their capabilities."

◾ While the report notes that "drug pipelines are still slow" and "none of these promised new drugs has yet got to market," it adds:

"Insilico Medicine is one of the companies hoping for that to change. It uses a range of models in its drug development process. One identifies the proteins that might be targeted to influence a disease. Another can design potential new drug compounds. Using this approach it identified a drug candidate which might be useful against pulmonary fibrosis in less than 18 months and at a cost of $3m—a fraction of the normal cost. The drug recently started Phase 2 trials."

Read more: https://www.economist.com/technology-quarterly/2024/03/27/artificial-intelligence-is-taking-over-drug-development

Artificial intelligence is taking over drug development Regulators need to up their game to keep up

A.I. Revolution | Full Documentary | NOVA | PBS 03/26/2024

"A.I. Revolution" - a new documentary about the promise and perils of AI from NOVA | PBS - premieres this Wed., March 27, 9pm ET.

◾ In the film, Petrina Kamya, Ph.D., global head of AI platforms and president of Insilico Medicine Canada describes how AI is being used to solve some of the most complex challenges in modern medicine "by predicting protein structures significantly faster than human researchers were previously able to."

◾ Computer scientist Regina Barzilay at Massachusetts Institute of Technology (MIT) describes how she is using AI to detect breast cancer from mammograms years before they are detectable by human eyes with over 85% accuracy.

◾ Correspondent Miles O'Brien - the film's narrator, producer and director - shares his own journey training his AI-enabled prosthetic arm.

◾ The film delves into worries around this quickly accelerating technology as well -- particularly the rise of deepfake videos and the concerns over AI intelligence gone rogue.

“‘A.I. Revolution’ aims to show people what this new technology is capable of, as well as some of the concerns that emerge when you are creating something that has the power to perceive things far beyond the scope of our own understanding of the world,” O'Brien says.

Learn more and tune in on PBS on YouTube, the PBS app or your streaming service. https://www.youtube.com/watch?v=iRS57Bhalz4

A.I. Revolution | Full Documentary | NOVA | PBS Explore the promise and perils of new A.I. technologies.Official Website: https://to.pbs.org/3Py2WDL | Can we harness the power of artificial intell...

03/22/2024

"How do you do it? And how much of what you do involves AI?"

Presenting at the recent AI in Drug Discovery conference in London, Petrina Kamya, Ph.D. president of Insilico Medicine Canada and global head of AI platforms, said these are the questions she hears the most.

◾ She explained how Insilico has learned from deep learning strategies being used in varied sectors, tailoring them to meet the intricate demands of drug discovery.

◾ The result – Pharma.AI – a fully integrated end-to-end generative AI and robotics drug discovery engine that comprises three verticals: Biology42 – led by the PandaOmics app, Chemistry42, and Medicine 42 – led by the inClinico app.

◾ Highlighting AI’s applications in PandaOmics – an AI-driven automated target discovery engine – as an example, she explained that the technology is used to identify genes, diseases, compounds, and biological processes, as well as the associations between them. Moreover, AI is employed to capture trends and analyze the potential for an attention spike or the initiation of a Phase 1 trial for a given target-disease association.

◾ With the aid of AI and ML, in just four short years, the company’s pipeline has expanded to 30+ programs, with more than 20 peer-reviewed papers published in 2023 alone.

Read more in pharmaphorum: https://pharmaphorum.com/digital/ai-drug-discovery-day-one

03/18/2024

The experts respond.

◾ Insilico's recent publication in Nature Biotechology revealing the story behind our lead AI drug -- a potentially first-in-class small molecule inhibitor for TNIK designed to treat the rare lung disease idiopathic pulmonary fibrosis -- has generated a good deal of feedback and testimonials from leading voices in AI and drug discovery.

◾ First up, a response from long-time research partner and AI expert Alan Aspuru-Guzik - professor of Chemistry and Computer Science at the University of Toronto Faculty of Arts & Science and director of the Acceleration Consortium. "Many people say they are doing AI for drug discovery," he says. "A handful are delivering."

◾ Want to learn more? Check out the full paper in Nature Biotech here: https://doi.org/10.1038/s41587-024-02143-0

AI Drives Work on Pulmonary Fibrosis Drug from Target Discovery to Phase II 03/14/2024

Great coverage of the recent Nature Biotech paper on Insilico's lead drug for -- the first generative -designed drug for an AI-discovered target to reach Phase II trials with patients -- from Genetic Engineering & Biotechnology News.

AI Drives Work on Pulmonary Fibrosis Drug from Target Discovery to Phase II Generative Al and hallmarks of aging involving fibrosis used to discover a therapeutic target and design a small molecule inhibitor for IPF

03/14/2024

A major publication in Nature Biotechnology provides the first behind-the-scenes look at the journey of Insilico Medicine's lead TNIK inhibitor for the treatment of idiopathic pulmonary fibrosis -- from AI-discovered target, to AI-designed novel small molecule, to Phase II trials with patients.

The paper includes 300 GB of live data and a custom GPT for asking interactive questions.

“From my perspective, the progress of INS018_055 has significant implications for the drug discovery field," says Insilico founder and CEO Alex Zhavoronkov. "It not only serves as a proof-of-concept for Pharma.AI, our end-to-end AI-driven drug discovery platform, but sets a precedent for the potential of generative AI to accelerate drug discovery. Using the publication as a guide, one can extrapolate how generative AI drug discovery tools may streamline early discovery efforts. We anticipate that the expanded application of this platform will address challenges facing industry R&D, including cost and efficiency, and accelerate the delivery of innovative therapies to patients.”

Read the paper and learn more: https://doi.org/10.1038/s41587-024-02143-0

Insilico Doses First Patient with AI-Designed IBD Treatment 12/07/2023

Insilico Doses First Patient with AI-Designed IBD Treatment Insilico Medicine has advanced into the clinic a treatment for inflammatory bowel disease (IBD) that could be the first to treat the disorder by inhibiting the prolyl hydroxylase domain (PHD).

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Videos (show all)

Advancing the next generation of cancer immunotherapy with AI.◾ Cancer immunotherapy, exemplified by PD-1 and its ligand...
New algorithm alert.A team of researchers at Insilico Medicine just published on the feasibility of using a new algorith...
It's been a decade of AI drug discovery - who are the frontrunners?A comprehensive new report from Andrii Buvailo of Bio...
A major publication in Nature Biotechnology provides the first behind-the-scenes look at the journey of Insilico Medicin...
A major publication in Nature Biotechnology offers a behind-the-scenes look at the journey of Insilico Medicine's  TNIK ...
My dear friends, I have great news for you! Today, the paper describing the discovery and validation of our AI-discovere...
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