Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.

@article{Babaoglu2008ComprehensiveMA,
  title={Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.},
  author={Kerim Babaoglu and Anton Simeonov and John J. Irwin and Michael E. Nelson and Brian Feng and Craig J. Thomas and Laura Cancian and Maria Paola Costi and David A. Maltby and Ajit Jadhav and James Inglese and Christopher P. Austin and Brian K. Shoichet},
  journal={Journal of medicinal chemistry},
  year={2008},
  volume={51 8},
  pages={2502-11}
}
High-throughput screening (HTS) is widely used in drug discovery. Especially for screens of unbiased libraries, false positives can dominate "hit lists"; their origins are much debated. Here we determine the mechanism of every active hit from a screen of 70,563 unbiased molecules against beta-lactamase using quantitative HTS (qHTS). Of the 1,274 initial inhibitors, 95% were detergent-sensitive and were classified as aggregators. Among the 70 remaining were 25 potent, covalent-acting beta… CONTINUE READING

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