• Source: Pan-assay interference compounds

Pan-assay interference compounds (PAINS) are chemical compounds that often give false positive results in high-throughput screens. PAINS tend to react nonspecifically with numerous biological targets rather than specifically affecting one desired target. A number of disruptive functional groups are shared by many PAINS.
While a number of filters have been proposed and are used in virtual screening and computer-aided drug design, the accuracy of filters with regard to compounds they flag and don't flag has been criticized.
Common PAINS include toxoflavin, isothiazolones, hydroxyphenyl hydrazones, curcumin, phenol-sulfonamides, rhodanines, enones, quinones, and catechols.




See also


Drug discovery




References






Further reading


Yang JJ, Ursu O, Lipinski CA, Sklar LA, Oprea TI, Bologa CG (2016). "Badapple: promiscuity patterns from noisy evidence". Journal of Cheminformatics. 8: 29. doi:10.1186/s13321-016-0137-3. PMC 4884375. PMID 27239230.
BadApple database

Kata Kunci Pencarian:

• Pan-assay interference compounds
• Reagent
• Thymoquinone
• Rhodanine
• Drug discovery
• Phytochemistry
• Curcumin
• Curcuminoid
• Pains
• Jonathan Baell