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Computational Tool Predicts How Drugs Work In Cells, Advancing Efforts To Design Better Medicines

rgets of a potential new anticancer compound, PTSB, shown in CMLD studies to inhibit growth in the test organism (baker’s yeast) as well as in human small lung carcinoma cells.

Their algorithm predicted, and subsequent experiments verified, that PTSB acted on thioredoxin and thioredoxin reductase, findings that not only validate the tool’s capability but could also pave the way to investigations of a potentially new class of therapeutic compounds.

In addition to Gardner, Collins, Schaus, and Elliott, the research team included Diego di Bernardo, an investigator at the Telethon Institute for Genetics and Medicine in Naples, Italy; Michael Thompson, a research associate in BU’s Center for BioDynamics; and BU students Erin Eastwood, a graduate student in chemistry, and Sarah Chobot and Andrew Wojtovich, chemistry undergraduates in the College of Arts and Sciences.

The research was supported by funds from the Department of Energy, the National Institutes of Health, the National Heart, Lung, and Blood Institute’s Proteomics Initiative, the Whitaker Foundation, the National Science Foundation, Boston University, and the Pharmaceutical Research and Manufacturers of America Foundation.


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Source:Boston University


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