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Suramin and diverse analogues exhibit a broad range of biological actions in\u2005vitro and in\u2005vivo, including, among others, antiproliferative and antiviral activity. Suramin derivatives usually target purinergic binding sites. Class\u2005III histone deacetylases (sirtuins) are amidohydrolases that require nicotinamide adenine dinucleotide (NAD<jats:sup>+<\/jats:sup>) as a cofactor for their catalytic mechanism<jats:italic><jats:sub>.<\/jats:sub><\/jats:italic> Deacetylation of the target proteins leads to a change in conformation and alters the activity of the proteins in question. Suramin was reported to inhibit human sirtuin\u20051 (SIRT1). We tested a diverse set of suramin analogues to elucidate the inhibition of the NAD<jats:sup>+<\/jats:sup>\u2010dependent histone deacetylases SIRT1 and SIRT2 and discovered selective inhibitors of human sirtuins with potency in the two\u2010digit nanomolar range. In addition, the structural requirements for the binding of suramin derivatives to sirtuins were investigated by molecular docking. The recently published X\u2010ray crystal structure of human SIRT5 in complex with suramin and the human SIRT2 structure were used to analyze the interaction mode of the novel suramin derivatives.<\/jats:p>","DOI":"10.1002\/cmdc.200700003","type":"journal-article","created":{"date-parts":[[2007,7,12]],"date-time":"2007-07-12T10:01:36Z","timestamp":1184234496000},"page":"1419-1431","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":179,"title":["Structure\u2013Activity Studies on Suramin Analogues as Inhibitors of NAD<sup>+<\/sup>\u2010Dependent Histone Deacetylases (Sirtuins)"],"prefix":"10.1002","volume":"2","author":[{"given":"Johannes","family":"Trapp","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rene","family":"Meier","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Darunee","family":"Hongwiset","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Matthias\u2005U.","family":"Kassack","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wolfgang","family":"Sippl","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Manfred","family":"Jung","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2007,9,26]]},"reference":[{"key":"e_1_2_5_1_2","doi-asserted-by":"publisher","DOI":"10.1002\/ardp.200500984"},{"key":"e_1_2_5_2_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.200461346"},{"key":"e_1_2_5_2_3","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200461346"},{"key":"e_1_2_5_3_2","doi-asserted-by":"publisher","DOI":"10.1186\/gb-2004-5-5-224"},{"key":"e_1_2_5_4_2","doi-asserted-by":"publisher","DOI":"10.2174\/1389450110607011553"},{"key":"e_1_2_5_5_2","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M205670200"},{"key":"e_1_2_5_6_2","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M106779200"},{"key":"e_1_2_5_7_2","doi-asserted-by":"publisher","DOI":"10.1021\/jm050100l"},{"key":"e_1_2_5_8_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.261574398"},{"key":"e_1_2_5_9_2","doi-asserted-by":"publisher","DOI":"10.1021\/jm030473r"},{"key":"e_1_2_5_10_2","doi-asserted-by":"publisher","DOI":"10.1021\/jm049933m"},{"key":"e_1_2_5_11_2","doi-asserted-by":"publisher","DOI":"10.1021\/jm060686r"},{"key":"e_1_2_5_12_2","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pbio.0030041"},{"key":"e_1_2_5_13_2","doi-asserted-by":"publisher","DOI":"10.1021\/jm050522v"},{"key":"e_1_2_5_14_2","doi-asserted-by":"publisher","DOI":"10.1038\/ng1018"},{"key":"e_1_2_5_15_2","doi-asserted-by":"publisher","DOI":"10.1158\/0008-5472.CAN-05-3617"},{"key":"e_1_2_5_16_2","doi-asserted-by":"publisher","DOI":"10.1038\/nature01960"},{"key":"e_1_2_5_17_2","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1016\/S0031-6997(25)00445-4","volume":"45","author":"Voogd T. 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