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<h1 id="firstHeading" class="firstHeading mw-first-heading"><span class="mw-page-title-main">Pan-Assay Interference Compounds</span></h1>
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<p>Unter den <i><b>Pan-Assay Interference Compounds</b></i> (<b>PAINS</b>) versteht man <a href="Chemische_Verbindung" title="Chemische Verbindung">chemische Verbindungen</a>, die bei der Suche nach potentiellen <a href="Wirkstoff" title="Wirkstoff">Wirkstoffen</a> mittels <a href="Hochdurchsatz-Screening" title="Hochdurchsatz-Screening">Hochdurchsatz-Screenings</a> fälschlicherweise als aktive Substanzen erscheinen und damit <a href="Beurteilung_eines_bin%C3%A4ren_Klassifikators" title="Beurteilung eines binären Klassifikators">falschpositive</a> Ergebnisse liefern.<sup id="cite_ref-1" class="reference"><a href="#cite_note-1"><span class="cite-bracket">[</span>1<span class="cite-bracket">]</span></a></sup><sup id="cite_ref-:0_2-0" class="reference"><a href="#cite_note-:0-2"><span class="cite-bracket">[</span>2<span class="cite-bracket">]</span></a></sup> Sie zeigen in verschiedenen <a href="Assay" title="Assay">Assays</a> scheinbar Aktivität gegenüber einer Vielzahl biologischer <a href="Target_(Biologie)" title="Target (Biologie)">Targets</a> („Pan-Assay“) und lösen damit Effekte aus, die als positive Wirkungen fehlinterpretiert werden.<sup id="cite_ref-:1_3-0" class="reference"><a href="#cite_note-:1-3"><span class="cite-bracket">[</span>3<span class="cite-bracket">]</span></a></sup>
</p><p>PAINS gehen dabei nicht eine echte, spezifische Bindung mit dem untersuchten biologischen Target ein (keine klassische <a href="Ligand_(Biochemie)" title="Ligand (Biochemie)">Ligand</a>-Target-Bindung). Stattdessen basieren die beobachteten Effekte auf unspezifischen physikochemischen oder assaybedingten Störmechanismen. Beispielsweise interagieren PAINS direkt mit <a href="Fluoreszenzmarkierung" title="Fluoreszenzmarkierung">Fluoreszenz-Reportersystemen</a>, deren Zweck es ist, eine passende Ligand-Target-Bindung anzuzeigen. Dadurch wird eine Aktivität vorgetäuscht, ohne das Targetprotein tatsächlich zu beeinflussen.
</p><p>Zu den PAINS zählen z. B. <a href="Curcumin" title="Curcumin">Curcumin</a>, <a href="Toxoflavin" title="Toxoflavin">Toxoflavin</a>, <a href="Epigallocatechingallat" title="Epigallocatechingallat">Epigallocatechingallat</a>, <a href="Genistein" title="Genistein">Genistein</a> oder <a href="Resveratrol" title="Resveratrol">Resveratrol</a>, die unspezifischen Reaktionen gehen auf darin enthaltene spezielle <a href="Funktionelle_Gruppe" title="Funktionelle Gruppe">funktionelle Gruppen</a> zurück.<sup id="cite_ref-:1_3-1" class="reference"><a href="#cite_note-:1-3"><span class="cite-bracket">[</span>3<span class="cite-bracket">]</span></a></sup><sup id="cite_ref-4" class="reference"><a href="#cite_note-4"><span class="cite-bracket">[</span>4<span class="cite-bracket">]</span></a></sup><sup id="cite_ref-5" class="reference"><a href="#cite_note-5"><span class="cite-bracket">[</span>5<span class="cite-bracket">]</span></a></sup>
</p><p>Viele Ergebnisse, z. B. aus <a href="Zellkultur" title="Zellkultur">Zellkulturstudien</a>, sind daher mit Vorsicht zu interpretieren.<sup id="cite_ref-:0_2-1" class="reference"><a href="#cite_note-:0-2"><span class="cite-bracket">[</span>2<span class="cite-bracket">]</span></a></sup> Werden die PAINS-verursachenden funktionellen Gruppen nicht erkannt, kann viel Geld und Zeit bei der Optimierung der Aktivität einer vermeintlich vielversprechenden, tatsächlich aber ungeeigneten Substanz verschwendet werden (<a href="Wirkstoffdesign" title="Wirkstoffdesign">Wirkstoffforschung</a>).<sup id="cite_ref-:1_3-2" class="reference"><a href="#cite_note-:1-3"><span class="cite-bracket">[</span>3<span class="cite-bracket">]</span></a></sup>
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<div class="mw-heading mw-heading2"><h2 id="Literatur">Literatur</h2></div>
<ul><li>C. Aldrich, <a href="Carolyn_Bertozzi" title="Carolyn Bertozzi">C. Bertozzi</a>, G. I. Georg, L. Kiessling, C. Lindsley, D. Liotta, K. M. Merz, A. Schepartz, S. Wang: <cite style="font-style:italic">The Ecstasy and Agony of Assay Interference Compounds</cite>. In: <cite style="font-style:italic"><a href="ACS_Central_Science" title="ACS Central Science">ACS Central Science</a></cite>. <span style="white-space:nowrap">Band<span style="display:inline-block;width:.2em"> </span>3</span>, <span style="white-space:nowrap">Nr.<span style="display:inline-block;width:.2em"> </span>3</span>, 22. März 2017, <span style="white-space:nowrap">S.<span style="display:inline-block;width:.2em"> </span>143–147</span>, <a href="Digital_Object_Identifier" title="Digital Object Identifier">doi</a>:<span class="uri-handle" style="white-space:nowrap"><a rel="nofollow" class="external text" href="https://doi.org/10.1021/acscentsci.7b00069">10.1021/acscentsci.7b00069</a></span>.<span class="Z3988" title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rfr_id=info:sid/de.wikipedia.org:Pan-Assay+Interference+Compounds&rft.atitle=The+Ecstasy+and+Agony+of+Assay+Interference+Compounds&rft.au=C.+Aldrich%2C+C.+Bertozzi%2C+G.+I.+Georg%2C+...&rft.date=2017-03-22&rft.doi=10.1021%2Facscentsci.7b00069&rft.genre=journal&rft.issue=3&rft.jtitle=ACS+Central+Science&rft.pages=143-147&rft.volume=3" style="display:none"> </span></li></ul>
<div class="mw-heading mw-heading2"><h2 id="Einzelnachweise">Einzelnachweise</h2></div>
<ol class="references">
<li id="cite_note-1"><span class="mw-cite-backlink"><a href="#cite_ref-1">↑</a></span> <span class="reference-text">Jonathan B. Baell, Georgina A. Holloway: <cite class="lang" lang="en" dir="auto" style="font-style:italic">New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays</cite>. In: <cite class="lang" lang="en" dir="auto" style="font-style:italic">Journal of Medicinal Chemistry</cite>. <span style="white-space:nowrap">Band<span style="display:inline-block;width:.2em"> </span>53</span>, <span style="white-space:nowrap">Nr.<span style="display:inline-block;width:.2em"> </span>7</span>, 8. April 2010, <span style="white-space:nowrap">S.<span style="display:inline-block;width:.2em"> </span>2719–2740</span>, <a href="Digital_Object_Identifier" title="Digital Object Identifier">doi</a>:<span class="uri-handle" style="white-space:nowrap"><a rel="nofollow" class="external text" href="https://doi.org/10.1021/jm901137j">10.1021/jm901137j</a></span>, <a class="external mw-magiclink-pmid" rel="nofollow" href="https://www.ncbi.nlm.nih.gov/pubmed/20131845?dopt=Abstract">PMID 20131845</a> (englisch).<span class="Z3988" title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rfr_id=info:sid/de.wikipedia.org:Pan-Assay+Interference+Compounds&rft.atitle=New+substructure+filters+for+removal+of+pan+assay+interference+compounds+%28PAINS%29+from+screening+libraries+and+for+their+exclusion+in+bioassays&rft.au=Jonathan+B.+Baell%2C+Georgina+A.+Holloway&rft.date=2010-04-08&rft.doi=10.1021%2Fjm901137j&rft.genre=journal&rft.issue=7&rft.jtitle=Journal+of+Medicinal+Chemistry&rft.pages=2719-2740&rft.pmid=20131845&rft.volume=53" style="display:none"> </span></span>
</li>
<li id="cite_note-:0-2"><span class="mw-cite-backlink">↑ <sup><a href="#cite_ref-:0_2-0">a</a></sup> <sup><a href="#cite_ref-:0_2-1">b</a></sup></span> <span class="reference-text"><span class="cite"><a rel="nofollow" class="external text" href="https://www.klartext-nahrungsergaenzung.de/wissen/lebensmittel/nahrungsergaenzungsmittel/kurkuma-eine-pflanze-fuer-alle-faelle-13696"><i>Kurkuma – eine Pflanze für alle Fälle?</i></a> In: <i>Klartext Nahrungsergänzung.</i> <a href="Verbraucherzentrale" title="Verbraucherzentrale">Verbraucherzentrale</a>, 15. Dezember 2021,<span class="Abrufdatum"> abgerufen am 17. Januar 2023</span>.</span><span style="display: none;" class="Z3988" title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rfr_id=info%3Asid%2Fde.wikipedia.org%3APan-Assay+Interference+Compounds&rft.title=Kurkuma+%E2%80%93+eine+Pflanze+f%C3%BCr+alle+F%C3%A4lle%3F&rft.description=Kurkuma+%E2%80%93+eine+Pflanze+f%C3%BCr+alle+F%C3%A4lle%3F&rft.identifier=https%3A%2F%2Fwww.klartext-nahrungsergaenzung.de%2Fwissen%2Flebensmittel%2Fnahrungsergaenzungsmittel%2Fkurkuma-eine-pflanze-fuer-alle-faelle-13696&rft.publisher=%5B%5BVerbraucherzentrale%5D%5D&rft.date=2021-12-15&rft.language=de"> </span></span>
</li>
<li id="cite_note-:1-3"><span class="mw-cite-backlink">↑ <sup><a href="#cite_ref-:1_3-0">a</a></sup> <sup><a href="#cite_ref-:1_3-1">b</a></sup> <sup><a href="#cite_ref-:1_3-2">c</a></sup></span> <span class="reference-text">Jonathan Baell, Michael A. Walters: <cite class="lang" lang="en" dir="auto" style="font-style:italic">Chemistry: Chemical con artists foil drug discovery</cite>. In: <cite class="lang" lang="en" dir="auto" style="font-style:italic">Nature</cite>. <span style="white-space:nowrap">Band<span style="display:inline-block;width:.2em"> </span>513</span>, <span style="white-space:nowrap">Nr.<span style="display:inline-block;width:.2em"> </span>7519</span>, 25. September 2014, <span style="white-space:nowrap">S.<span style="display:inline-block;width:.2em"> </span>481–483</span>, <a href="Digital_Object_Identifier" title="Digital Object Identifier">doi</a>:<span class="uri-handle" style="white-space:nowrap"><a rel="nofollow" class="external text" href="https://doi.org/10.1038/513481a">10.1038/513481a</a></span>, <a class="external mw-magiclink-pmid" rel="nofollow" href="https://www.ncbi.nlm.nih.gov/pubmed/25254460?dopt=Abstract">PMID 25254460</a> (englisch).<span class="Z3988" title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rfr_id=info:sid/de.wikipedia.org:Pan-Assay+Interference+Compounds&rft.atitle=Chemistry%3A+Chemical+con+artists+foil+drug+discovery&rft.au=Jonathan+Baell%2C+Michael+A.+Walters&rft.date=2014-09-25&rft.doi=10.1038%2F513481a&rft.genre=journal&rft.issue=7519&rft.jtitle=Nature&rft.pages=481-483&rft.pmid=25254460&rft.volume=513" style="display:none"> </span></span>
</li>
<li id="cite_note-4"><span class="mw-cite-backlink"><a href="#cite_ref-4">↑</a></span> <span class="reference-text">Ana Marta de Matos <i>et al.</i>: <cite class="lang" lang="en" dir="auto" style="font-style:italic">C-Glucosylation as a tool for the prevention of PAINS-induced membrane dipole potential alterations</cite>. In: <cite class="lang" lang="en" dir="auto" style="font-style:italic">Scientific Reports</cite>. <span style="white-space:nowrap">Band<span style="display:inline-block;width:.2em"> </span>11</span>, <span style="white-space:nowrap">Nr.<span style="display:inline-block;width:.2em"> </span>1</span>, 24. Februar 2021, <span style="white-space:nowrap">S.<span style="display:inline-block;width:.2em"> </span>4443</span>, <a href="Digital_Object_Identifier" title="Digital Object Identifier">doi</a>:<span class="uri-handle" style="white-space:nowrap"><a rel="nofollow" class="external text" href="https://doi.org/10.1038/s41598-021-83032-3">10.1038/s41598-021-83032-3</a></span>, <a class="external mw-magiclink-pmid" rel="nofollow" href="https://www.ncbi.nlm.nih.gov/pubmed/33627687?dopt=Abstract">PMID 33627687</a>, <a rel="nofollow" class="external text" href="https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7904931/">PMC 7904931</a> (freier Volltext) – (englisch).<span class="Z3988" title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rfr_id=info:sid/de.wikipedia.org:Pan-Assay+Interference+Compounds&rft.atitle=C-Glucosylation+as+a+tool+for+the+prevention+of+PAINS-induced+membrane+dipole+potential+alterations&rft.au=Ana+Marta+de+Matos+et+al.&rft.date=2021-02-24&rft.doi=10.1038%2Fs41598-021-83032-3&rft.genre=journal&rft.issue=1&rft.jtitle=Scientific+Reports&rft.pages=4443&rft.pmc=7904931&rft.pmid=33627687&rft.volume=11" style="display:none"> </span></span>
</li>
<li id="cite_note-5"><span class="mw-cite-backlink"><a href="#cite_ref-5">↑</a></span> <span class="reference-text">Jonathan B. Baell: <cite class="lang" lang="en" dir="auto" style="font-style:italic">Feeling Nature's PAINS: Natural Products, Natural Product Drugs, and Pan Assay Interference Compounds (PAINS)</cite>. In: <cite class="lang" lang="en" dir="auto" style="font-style:italic">Journal of Natural Products</cite>. <span style="white-space:nowrap">Band<span style="display:inline-block;width:.2em"> </span>79</span>, <span style="white-space:nowrap">Nr.<span style="display:inline-block;width:.2em"> </span>3</span>, 25. März 2016, <span style="white-space:nowrap">S.<span style="display:inline-block;width:.2em"> </span>616–628</span>, <a href="Digital_Object_Identifier" title="Digital Object Identifier">doi</a>:<span class="uri-handle" style="white-space:nowrap"><a rel="nofollow" class="external text" href="https://doi.org/10.1021/acs.jnatprod.5b00947">10.1021/acs.jnatprod.5b00947</a></span>, <a class="external mw-magiclink-pmid" rel="nofollow" href="https://www.ncbi.nlm.nih.gov/pubmed/26900761?dopt=Abstract">PMID 26900761</a> (englisch).<span class="Z3988" title="ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rfr_id=info:sid/de.wikipedia.org:Pan-Assay+Interference+Compounds&rft.atitle=Feeling+Nature%27s+PAINS%3A+Natural+Products%2C+Natural+Product+Drugs%2C+and+Pan+Assay+Interference+Compounds+%28PAINS%29&rft.au=Jonathan+B.+Baell&rft.date=2016-03-25&rft.doi=10.1021%2Facs.jnatprod.5b00947&rft.genre=journal&rft.issue=3&rft.jtitle=Journal+of+Natural+Products&rft.pages=616-628&rft.pmid=26900761&rft.volume=79" style="display:none"> </span></span>
</li>
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