A recent study by researchers at IBM and the University of Oxford revealed a breakthrough in antiviral drug development. The researchers used generative artificial intelligence (AI) to design novel molecules that have the potential to block the SARS-CoV-2 virus, which causes Covid-19. This approach proved successful, as the team identified four potential covid-19 antivirals in a fraction of the time it would have taken with traditional methods. The study, published in Science Advances, demonstrates the power of generative AI to accelerate the search for new treatments in times of crisis.
The traditional drug discovery process is often slow and time consuming, and can take up to a decade or more. However, the Covid-19 pandemic required the rapid development of new treatments, leading to unprecedented collaboration between academia and industry. Many of the successful drugs were repurposed from existing treatments. However, as viruses mutate, the effectiveness of these drugs decreases over time, highlighting the need for new antiviral solutions.
Generative AI offers a potential solution by allowing the creation of entirely new molecules that can target different sites on a viral protein. The AI model, called Controlled Generation of Molecules (CogMol), was trained on a large data set of molecules and their binding properties. Importantly, you were not provided with information about the 3D structure of the SARS-CoV-2 virus or known binding molecules. This allowed the model to generate new molecules based solely on the amino acid sequences of the target proteins.
CogMol successfully generated a pool of 875,000 candidate molecules, which were then narrowed down using predictive modeling and retrosynthesis prediction. The final selection resulted in the synthesis of eight new compounds, which were tested and analyzed for their efficacy in inhibiting target proteins and neutralizing the virus. Two of the compounds targeted the major protease, while the other two not only targeted the spike protein, but also exhibited the ability to neutralize all major Covid variants.
Although more research and clinical trials are needed before these molecules can be turned into drugs, the study provides promising evidence that generative AI can revolutionize the field of drug development. It offers a faster and more versatile approach to identify potential antivirals and could be instrumental in responding to future viral outbreaks.
In conclusion, the study demonstrates the potential of generative AI to discover and design antiviral drugs. By leveraging AI models like CogMol, the researchers were able to identify promising molecules for the treatment of Covid-19 in a fraction of the time compared to traditional methods. This advance opens new avenues for drug development, especially in light of the evolution of viruses and future pandemics.
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Niharika is a technical consulting intern at Marktechpost. She is a third year student, currently pursuing her B.Tech from the Indian Institute of Technology (IIT), Kharagpur. She is a very enthusiastic individual with a strong interest in machine learning, data science, and artificial intelligence and an avid reader of the latest developments in these fields.
