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Current <jats:styled-content style=\"fixed-case\">HAT<\/jats:styled-content> drugs are difficult to administer and not effective against all parasite species at different stages of the disease which indicates an unmet pharmaceutical need. Tb<jats:styled-content style=\"fixed-case\">RET<\/jats:styled-content>2 is an indispensable enzyme for the parasite and is targeted here using a computational approach that combines molecular dynamics simulations and virtual screening. The compounds prioritized are then tested in <jats:italic>T.\u00a0brucei<\/jats:italic> via Alamar blue cell viability assays. This work identified 20 drug\u2010like compounds which are candidates for further testing in the drug discovery process.<\/jats:p>","DOI":"10.1111\/cbdd.12302","type":"journal-article","created":{"date-parts":[[2014,2,24]],"date-time":"2014-02-24T17:48:22Z","timestamp":1393264102000},"page":"131-139","source":"Crossref","is-referenced-by-count":14,"title":["Computer\u2010Aided Discovery of <i>Trypanosoma brucei <\/i><scp>RNA<\/scp>\u2010Editing Terminal Uridylyl Transferase 2 Inhibitors"],"prefix":"10.1111","volume":"84","author":[{"given":"\u00d6zlem","family":"Demir","sequence":"first","affiliation":[{"name":"Department of Chemistry and Biochemistry University of California San Diego La Jolla CA 92093 USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mehdi","family":"Labaied","sequence":"additional","affiliation":[{"name":"Seattle Biomedical Research Institute Seattle WA 98109 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