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dc.contributor.author Végner László
dc.contributor.author Peragovics Ágnes
dc.contributor.author Tombor László
dc.contributor.author Jelinek Balázs
dc.contributor.author Czobor Pál
dc.contributor.author Bender A
dc.contributor.author Simon Zoltán
dc.contributor.author Málnási Csizmadia András
dc.date.accessioned 2015-01-07T09:24:20Z
dc.date.available 2015-01-07T09:24:20Z
dc.date.issued 2013
dc.identifier 84887978605
dc.identifier.citation pagination=8377-8388; journalVolume=56; journalIssueNumber=21; journalTitle=JOURNAL OF MEDICINAL CHEMISTRY;
dc.identifier.uri http://repo.lib.semmelweis.hu//handle/123456789/681
dc.identifier.uri doi:10.1021/jm400813y
dc.description.abstract We recently introduced Drug Profile Matching (DPM), a novel affinity fingerprinting-based in silico drug repositioning approach. DPM is able to quantitatively predict the complete effect profiles of compounds via probability scores. In the present work, in order to investigate the predictive power of DPM, three effect categories, namely, angiotensin-converting enzyme inhibitor, cyclooxygenase inhibitor, and dopamine agent, were selected and predictions were verified by literature analysis as well as experimentally. A total of 72% of the newly predicted and tested dopaminergic compounds were confirmed by tests on D1 and D2 expressing cell cultures. 33% and 23% of the ACE and COX inhibitory predictions were confirmed by in vitro tests, respectively. Dose-dependent inhibition curves were measured for seven drugs, and their inhibitory constants (Ki) were determined. Our study overall demonstrates that DPM is an effective approach to reveal novel drug-target pairs that may result in repositioning these drugs.
dc.relation.ispartof urn:issn:0022-2623
dc.title Experimental Confirmation of New Drug-Target Interactions Predicted by Drug Profile Matching
dc.type Journal Article
dc.date.updated 2014-12-08T08:55:47Z
dc.language.rfc3066 en
dc.identifier.mtmt 2448387
dc.identifier.wos 000327111100013
dc.identifier.pubmed 24088053
dc.contributor.department ELTE/ELTE TTK/ELTE TTK BI/MTA-ELTE Molekuláris Biofizikai Kutatócsoport
dc.contributor.department ELTE/ELTE TTK/ELTE TTK Biológiai Intézet
dc.contributor.department SE/ÁOK/K/Pszichiátriai és Pszichoterápiás Klinika
dc.contributor.institution Eötvös Loránd Tudományegyetem
dc.contributor.institution Semmelweis Egyetem


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