Target identification and mechanism of action in chemical biology and drug discovery

By M. Schenone, V. Dancík, B. Wagner, Paul A. Clemons. Nature Chemical Biology, 2013

964 citations recorded by the source corpus.

Target-identification and mechanism-of-action studies have important roles in small-molecule probe and drug discovery. Biological and technological advances have resulted in the increasing use of cell-based assays to discover new biologically active small molecules. Such studies allow small-molecule action to be tested in a more disease-relevant setting at the outset, but they require follow-up studies to determine the precise protein target or targets responsible for the observed phenotype. Target identification can be approached by direct biochemical methods, genetic interactions or computational inference. In many cases, however, combinations of approaches may be required to fully characterize on-target and off-target effects and to understand mechanisms of small-molecule action.

Subfields: Computational Theory and Mathematics, Molecular Biology, Organic Chemistry

View Paper: https://www.semanticscholar.org/paper/5cd0308aa3d8e046aa5e8f066b60cd3a1b2ae612

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Citations in the corpus

Correlating chemical sensitivity and basal gene expression reveals mechanism of action (2015, neutral): “” Nature Chemical Biology 12 (2) (December 14): 109–116.”
Utilizing graph machine learning within drug discovery and development (2021, background): “drug mechanisms of action [132], examples include: affinity chromatography, a range of mass spectrometry techniques for”
A review of connectivity map and computational approaches in pharmacogenomics (2017, background): “Such data types are now routinely used to aid our understanding in drug discovery and disease therapeutics [1, 2].”
Discovery and resupply of pharmacologically active plant-derived natural products: A review (2015, background): “3; (Lee et al., 2012; Schenone et al., 2013; Takenaka, 2001; Zheng et al., 2013)).”
Benchmarking AlphaFold‐enabled molecular docking predictions for antibiotic discovery (2022, background): “Various approaches to identifying molecular drug targets have been developed, including those based on biochemical assays, genetic interactions, and molecular docking (Kitchen et al , 2004; Schenone et al , 2013).”
Potential of quantum computing for drug discovery (2018, background): “a population of cells with different mutations [24, 25].”
Role of computer-aided drug design in modern drug discovery (2015, methodology): “In addition, numerous DNA and RNA analysis methods permit target identification using genetic or genomic methods to measure or modify the presence and function of protein targets in a controlled model (Schenone et al. 2013).”