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http://dx.doi.org/10.1021/acscentsci.3c00654 | DOI Listing |
Bioimpacts
January 2023
Faculty of Chemistry, Department of Theoretical and Applied Chemistry, South Ural State University, Chelyabinsk, Russia.
Introduction: Machine learning methods, coupled with a tremendous increase in computer power in recent years, are promising tools in modern drug design and drug repurposing.
Methods: Machine learning predictive models, publicly available at chemosophia.com, were used to predict the bioactivity of recently synthesized platinum(IV) complexes against different kinds of diseases and medical conditions.
ACS Cent Sci
July 2023
Institut Curie, CNRS, INSERM, PSL Research University, Paris 75248, France.
J Am Chem Soc
July 2022
Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
The global crisis of untreatable microbial infections necessitates the design of new antibiotics. Drug repurposing is a promising strategy for expanding the antibiotic repertoire. In this study, we repurpose the clinically approved anticancer agent cisplatin into a targeted antibiotic by conjugating its Pt(IV) prodrug to enterobactin (Ent), a triscatecholate siderophore employed by Enterobacteriaceae for iron (Fe) acquisition.
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