drug-discovery

Nature Biomedical Engineering, Published online: 24 April 2026; doi:10.1038/s41551-026-01667-x DeepDrugDiscovery is an AI-powered screening platform incorporating ADMET and blood–brain barrier penetrability predictions to successfully identify mTOR-independent autophagy enhancers that can cross the blood–brain barrier for Alzheimer’s disease therapy.

SLAC's Derek Mendez and Xueli "Sherry" Zheng have been honored with prestigious DOE Early Career Research Program awards to develop novel AI tools that will accelerate drug discovery and advance energy storage to power the future.

Volume 39 of SLAS Discovery includes three original research articles and one short communication that aim to accelerate drug discovery through novel imaging workflows, fragment identification for challenging targets and datasets that bridge ligand-binding data gaps to enable AI-driven drug discovery.

Nature Reviews Drug Discovery, Published online: 28 April 2026; doi:10.1038/s41573-026-01411-9 Kinases represent one of the largest superfamilies of drug targets, but many members have remained notoriously challenging to drug by traditional small-molecule approaches. This Review assesses approaches and agents aimed at therapeutically modulating kinases, comparing orthosteric, allosteric and induc…

Big Tech is sharpening its focus on healthcare and drug development. Amazon’s recent Bio Discovery launch is one recent signal, with AWS pushing into agentic AI application for antibody design. It joins a growing playing field: Google DeepMind’s Isomorphic Labs has advanced pharma partnerships with Novartis and Eli Lilly on the back of AlphaFold 3… The post SEQSTER CEO Ardy Arianpour on AWS Bio D…

Isomorphic Labs president Max Jaderberg said at WIRED Health in London that the startup has built a “broad and exciting pipeline of new medicines.”

Researchers at McMaster University have developed a new generative artificial intelligence (AI) model capable of drastically speeding up drug discovery -- and, in early tests, it has already designed a brand-new antibiotic.

For every life-changing new drug that comes to market, many candidates fail along the way. An artificial intelligence-based tool developed at the University of Oregon could help scientists better predict how hypothetical new drugs might act in the body before running expensive tests. Their algorithm...

For every life-changing new drug that comes to market, many candidates fail along the way. An artificial intelligence-based tool developed at the University of Oregon could help scientists better predict how hypothetical new drugs might act in the body before running expensive tests. Their algorithm...

10x Science has raised a $4.8 million seed round to help pharmaceutical researchers understand complex molecules.

IntroductionIn cancer therapy, inhibiting tubulin polymerization is a key approach for modifying microtubule dynamics required for cell survival and proliferation. Microtubule destabilizing agents (MDAs), also known as tubulin polymerization inhibitors, prevent tubulin heterodimers from forming microtubules, resulting in catastrophic cellular collapse.MethodsA novel series of thiazole-based compo…

BackgroundP2X7 is a purinergic receptor involved in inflammation, pain, and neurodegeneration and is an important pharmacological target, with no drugs approved for clinical therapy. Given the limited availability of crystallized human P2X7 (hP2X7) receptor structures, this study evaluates the structural fidelity of models generated through conventional homology modeling and advanced deep learnin…

Researchers led by Professor Zhang Yang, Senior Principal Investigator from the Cancer Science Institute of Singapore (CSI Singapore) at the National University of Singapore, have developed a new artificial intelligence (AI) model that can more accurately predict how proteins interact with one another--an advance that could accelerate drug discovery and deepen insights into diseases such as cance…

Drugmakers and technology companies ⁠have stepped up efforts to use AI to accelerate drug development

Concept Life Sciences' expanded Assay Development and Screening services enhance drug discovery, reinforcing our commitment to innovative therapeutic solutions.

In December, The Conversation hosted a webinar on AI’s revolutionary role in drug discovery and development. Science and technology editor Eric Smalley interviewed Jeffrey Skolnick, eminent scholar in computational systems biology at Georgia Institute of Technology, and Benjamin P. Brown, assistant professor of pharmacology at Vanderbilt University. Skolnick has developed AI-based approaches to p…

Roche is deploying more than 3,500 NVIDIA Blackwell GPUs across hybrid cloud and on‑premises environments in the U.S. and Europe, expanding on an existing collaboration to turn AI and accelerated computing into a core operating capability across its pharmaceutical and diagnostics businesses. At NVIDIA GTC today, Roche unveiled how this new AI computing backbone will power everything from biologic…