Scientists at Southwest Research Institute have used AI-driven drug discovery platforms to rapidly identify and synthesise 23 antiviral candidates targeting the Bundibugyo Ebola strain currently affecting the Democratic Republic of Congo.
Researchers in the United States have used artificial intelligence (AI) to identify nearly two dozen antiviral compounds that could potentially treat a rare strain of Ebola virus currently affecting the Democratic Republic of Congo.
Scientists at the Southwest Research Institute (SwRI) say recent advances in AI and machine learning have allowed them to rapidly identify promising drug candidates targeting the Bundibugyo virus, a rare species of Ebola first identified in Uganda in 2007.
According to the World Health Organization, the latest outbreak has resulted in 516 suspected cases and 33 confirmed infections, with as many as 133 deaths reported. The Bundibugyo strain is known to kill up to 40 percent of infected patients.
There is currently no approved treatments specifically for Bundibugyo Ebolavirus, despite the existence of some antiviral therapies for other Ebola species.
AI-driven drug discovery
The research forms part of a decade-long collaboration between SwRI and the Texas Biomedical Research Institute (Texas Biomed). Under the partnership, SwRI develops and formulates antiviral candidates which are then tested by Texas Biomed in its high-security Biosafety Level 4 laboratory.
“We stand ready to support the biomedical community with rapid research and development of antiviral drugs as global health professionals respond to the latest outbreak,” said Dr Jonathan Bohmann, the lead developer of SwRI’s Rhodium™ molecular docking software designed to virtually screen drug compounds. “Our AI and machine learning tools help to quickly identify drug candidates that are the most likely to work in not only a high-value biocontainment environment, but also in the human body.”
We stand ready to support the biomedical community with rapid research and development of antiviral drugs as global health professionals respond to the latest outbreak
Researchers explained that the Rhodium software works alongside large language model AI systems to analyse and prioritise molecular compounds that may be effective against the virus.
The project, known as Generative Approaches for Molecular Encodings (GAMES) LLM, generates molecular structures using Simplified Molecular Input Line Entry System (SMILES) strings, an industry-standard format used to model and store chemical structures.
Using this AI-driven process, scientists rapidly identified and synthesised 18 new compounds related to an earlier antiviral molecule known as M7.
Building on earlier Ebola research
SwRI and Texas Biomed first began working together on Ebola virus research in 2016 following funding from the Defence Threat Reduction Agency. Earlier studies focused on combining existing medicines and testing them against Ebola infections.
More recently, researchers investigated the small molecule M7, which had shown strong inhibitory effects against the Zaire Ebolavirus species. Unlike many antiviral drugs that directly target a virus, M7 is considered a host-directed antiviral, meaning it may work against a broader range of viruses.
Although laboratory testing produced strong results, scientists found that M7 lacked the necessary properties for large-scale pharmaceutical manufacturing.
Dr Bohmann said the latest AI-assisted work helped researchers overcome those challenges by identifying related compounds with improved stability and production potential.
The team also considered supply chain issues during development, prioritising building block materials sourced domestically to support rapid production if needed.
Global health and security concerns
Experts involved in the project said the latest outbreak underlined the importance of sustained investment in infectious disease research.
“The current Ebolavirus outbreak is a clear reminder that biomedical research is not only a public health priority, but also a matter of national and global security,” said Larry Schlesinger, President and CEO of Texas Biomed. “Sustained investment in infectious disease research, along with the development of vaccines and therapeutics, is essential to ensuring that we are prepared to contain outbreaks before they become broader global threats.”
The current Ebolavirus outbreak is a clear reminder that biomedical research is not only a public health priority, but also a matter of national and global security,
The newly identified compounds are expected to undergo testing against the Bundibugyo virus in the coming weeks.
No comments yet