Application of ML-enriched ASMS for Hit Discovery
GLUT1 serves as the conduit for transporting glucose from the extracellular milieu into the cell, thereby fueling cellular physiological activities via glucose metabolism. Its overexpression has been documented in various tumor cells, establishing GLUT1 as a promising therapeutic target.
During an ASMS screening of GLUT1, a counter screen was introduced to effectively mitigate false positives arising from surfactants in the protein buffer, with ASMS integration of ML modeling (ML-enriched ASMS), resulting in a 5.8-fold enhancement in screening efficiency which shortens the process of the screening scope while concurrently reducing costs. Through this strategy, a GLUT1 binder was identified with a Kd of 35.7 μM, while inhibiting cellular glucose transport activity with an IC50 of 2.3 μM.
Application of ML-enriched ASMS for Hit Discovery_mini-poster
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