The Ecstasy and Agony of Assay Interference Compounds.

Author(s): Aldrich, Courtney; Bertozzi, Carolyn; Georg, Gunda I; Kiessling, Laura; Lindsley, Craig; Liotta, Dennis; Merz, Kenneth M; Schepartz, Alanna; Wang, Shaomeng

[1]  Aristatile Balakrishnan,et al.  Docking studies on the interaction of flavonoids with fat mass and obesity associated protein. , 2015, Pakistan journal of pharmaceutical sciences.

[2]  Erin E. Carlson,et al.  Chemical probes of UDP-galactopyranose mutase. , 2006, Chemistry & biology.

[3]  J. Baell,et al.  Chemistry: Chemical con artists foil drug discovery , 2014, Nature.

[4]  Christopher P Austin,et al.  Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease. , 2010, Journal of medicinal chemistry.

[5]  Jonathan Bisson,et al.  Can Invalid Bioactives Undermine Natural Product-Based Drug Discovery? , 2015, Journal of medicinal chemistry.

[6]  Jayme L. Dahlin,et al.  How to Triage PAINS-Full Research. , 2016, Assay and drug development technologies.

[7]  Maria F. Sassano,et al.  Colloidal Aggregation Causes Inhibition of G Protein-Coupled Receptors , 2013, Journal of medicinal chemistry.

[8]  Susan A. Jones,et al.  Novel Broad Spectrum Inhibitors Targeting the Flavivirus Methyltransferase , 2015, PloS one.

[9]  James Inglese,et al.  Apparent activity in high-throughput screening: origins of compound-dependent assay interference. , 2010, Current opinion in chemical biology.

[10]  B. Shoichet,et al.  Colloidal Aggregation Affects the Efficacy of Anticancer Drugs in Cell Culture , 2012, ACS chemical biology.

[11]  Anton Simeonov,et al.  Fluorescence polarization assays in small molecule screening , 2011, Expert opinion on drug discovery.

[12]  James A. Wells,et al.  Small-Molecule Activators of a Proenzyme , 2009, Science.

[13]  Modi Wang,et al.  Structure-based discovery of an immunomodulatory inhibitor of TLR1-TLR2 heterodimerization from a natural product-like database. , 2015, Chemical communications.

[14]  John P. Overington,et al.  The promise and peril of chemical probes. , 2015, Nature chemical biology.

[15]  W. J. Allen,et al.  Small molecule inhibitors of HIVgp41 N-heptad repeat trimer formation. , 2015, Bioorganic & medicinal chemistry letters.

[16]  W. Patrick Walters,et al.  A guide to drug discovery: Designing screens: how to make your hits a hit , 2003, Nature Reviews Drug Discovery.

[17]  Tudor I. Oprea,et al.  Badapple: promiscuity patterns from noisy evidence , 2016, Journal of Cheminformatics.

[18]  Jean-Louis Reymond,et al.  Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening. , 2016, Journal of medicinal chemistry.

[19]  Martin Pouliot,et al.  Pan Assay Interference Compounds (PAINS) and Other Promiscuous Compounds in Antifungal Research. , 2016, Journal of medicinal chemistry.

[20]  J. Baell Observations on screening-based research and some concerning trends in the literature. , 2010, Future medicinal chemistry.

[21]  D. Jeong,et al.  Structure-based virtual screening approach to the discovery of novel PTPMT1 phosphatase inhibitors. , 2012, Bioorganic & medicinal chemistry letters.

[22]  Helgi I. Ingólfsson,et al.  Phytochemicals Perturb Membranes and Promiscuously Alter Protein Function , 2014, ACS chemical biology.

[23]  G. Rishton Nonleadlikeness and leadlikeness in biochemical screening. , 2003, Drug discovery today.

[24]  Anton Simeonov,et al.  Firefly luciferase in chemical biology: a compendium of inhibitors, mechanistic evaluation of chemotypes, and suggested use as a reporter. , 2012, Chemistry & biology.

[25]  Qiaojun He,et al.  Pharmacophore identification, virtual screening and biological evaluation of prenylated flavonoids derivatives as PKB/Akt1 inhibitors. , 2011, European journal of medicinal chemistry.

[26]  Jayme L. Dahlin,et al.  Assay Interference by Chemical Reactivity , 2015 .

[27]  B. Shoichet,et al.  A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. , 2002, Journal of medicinal chemistry.

[28]  B. Shoichet Screening in a spirit haunted world. , 2006, Drug discovery today.

[29]  P. B. Luis,et al.  Degradation of Curcumin: From Mechanism to Biological Implications. , 2015, Journal of agricultural and food chemistry.

[30]  Ruili Huang,et al.  Fluorescence spectroscopic profiling of compound libraries. , 2008, Journal of medicinal chemistry.

[31]  J. Irwin,et al.  An Aggregation Advisor for Ligand Discovery. , 2015, Journal of medicinal chemistry.

[32]  Kristin E. D. Coan,et al.  Stoichiometry and physical chemistry of promiscuous aggregate-based inhibitors. , 2008, Journal of the American Chemical Society.

[33]  Christopher P Austin,et al.  A high-throughput screen for aggregation-based inhibition in a large compound library. , 2007, Journal of medicinal chemistry.

[34]  Mohammad Fallahi-Sichani,et al.  Metrics other than potency reveal systematic variation in responses to cancer drugs. , 2013, Nature chemical biology.

[35]  B. Shoichet,et al.  High-throughput assays for promiscuous inhibitors , 2005, Nature chemical biology.

[36]  Brian K Shoichet,et al.  A detergent-based assay for the detection of promiscuous inhibitors , 2006, Nature Protocols.

[37]  Kenny K H Ang,et al.  Divergent modes of enzyme inhibition in a homologous structure-activity series. , 2009, Journal of medicinal chemistry.

[38]  Jonathan B Baell,et al.  Screening-based translation of public research encounters painful problems. , 2015, ACS medicinal chemistry letters.

[39]  Maria Paola Costi,et al.  Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase. , 2008, Journal of medicinal chemistry.

[40]  J. Baell,et al.  New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays. , 2010, Journal of medicinal chemistry.

[41]  Brian K Shoichet,et al.  Interpreting steep dose-response curves in early inhibitor discovery. , 2006, Journal of medicinal chemistry.

[42]  Jonathan B Baell,et al.  Feeling Nature's PAINS: Natural Products, Natural Product Drugs, and Pan Assay Interference Compounds (PAINS). , 2016, Journal of natural products.