Deep learning-based prediction of chemical accumulation in a pathogenic mycobacterium.

ABSTRACT: Drugs must accumulate at their target site to be effective, and inadequate uptake of drugs is a substantial barrier to the design of potent therapies. This is particularly true in the development of antibiotics, as bacteria possess numerous barriers to prevent chemical uptake. Designing compounds that circumvent bacterial barriers and accumulate to high levels in cells could dramatically improve the success rate of antibiotic candidates. However, a comprehensive understanding of which chemical structures promote or prevent drug uptake is currently lacking. Here we use liquid chromatography-mass spectrometry to measure accumulation of 1528 approved drugs in Mycobacterium abscessus, a highly drug-resistant, opportunistic pathogen. We find that simple chemical properties fail to effect

SUBMITTER: Sullivan MR 

PROVIDER: S-EPMC11702553 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature