SyntheMol, an innovative AI model to target drug-resistant bacteria
SyntheMol is an artificial intelligence model developed by researchers at Stanford Medicine and McMaster University to design new antibiotic compounds that can fight against drug-resistant bacteria, specifically Acinetobacter baumannii.
SyntheMol will create novel antibiotics that combat superbugs. Using this cutting-edge AI model, billions of novel antibiotic compounds that target bacteria resistant to drugs can be produced.
The key points about SyntheMol are:
With the help of generative AI, new antibiotic compounds that have never been found in nature can be produced. SyntheMol was trained on more than 130,000 chemical reactions and molecular building blocks, which enabled it to produce new compound structures as well as the synthesis instructions needed to make them in a laboratory. SyntheMol produced almost 25,000 possible novel antibiotic compounds in less than nine hours. After that, the researchers selected the 70 most promising candidates, and with the assistance of a chemical business, they synthesized 58 of them. Six of the 58 synthetic compounds were discovered to be efficient in eliminating the resistant Acinetobacter baumannii bacterium, indicating the promise of an AI-driven method for the identification of new antibiotics.
In addition to finding novel medications for antibiotic resistance, the researchers hope to improve SyntheMol for use in other areas such as heart disease and fluorescent molecules for scientific purposes.
To tackle the pressing issue of drug-resistant diseases, SyntheMol offers a breakthrough AI-powered method for quickly creating and verifying new antibiotic compounds.
References:
- Kyle Swanson, Gary Liu, Denise B. Catacutan, Autumn Arnold, James Zou & Jonathan M. Stokes, Generative AI for designing and validating easily synthesizable and structurally novel antibiotics, Nature Machine Intelligence, vol. 6, 2024, 338–353.
- Gerald Maggiora, Martin Vogt, Dagmar Stumpfe, and Jürgen Bajorath. Molecular Similarity in Medicinal Chemistry: Miniperspective. Journal of Medicinal Chemistry, 57(8):3186–3204, April 2014.
By
Sudeep Kumar Mandal
Assistant Professor
Faculty of Pharmacy, Kalinga University, Raipur
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