https://www.socictopen.socict.org/files/original/7e0fe4062a1accf4cc441325c3f8e492.pdf 8718b7b45c70ade1e591de086d10fd64 Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Coronavirus Description An account of the resource Dominio científico: Coronavirus Text A resource consisting primarily of words for reading. Examples include books, letters, dissertations, poems, newspapers, articles, archives of mailing lists. Note that facsimiles or images of texts are still of the genre Text. Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Molecular Design, Synthesis and Trypanocidal Activity of Dipeptidyl Nitriles as Cruzain Inhibitors. Creator An entity primarily responsible for making the resource Leandro A A Avelar, Cristian D Camilo, Sérgio de Albuquerque, William B Fernandes, Cristiana Gonçalez, Peter W Kenny, Andrei Leitão, James H. McKerrow, Carlos A. Montanari, Erika V Meñaca Orozco, Jean F R Ribeiro, Josmar R Rocha, Fabiana Rosini, Marta E Saidel Description An account of the resource A series of compounds based on the dipeptidyl nitrile scaffold were synthesized and assayed for their inhibitory activity against the T. cruzi cysteine protease cruzain. Structure activity relationships (SARs) were established using three, eleven and twelve variations respectively at the P1, P2 and P3 positions. A Ki value of 16 nM was observed for the most potent of these inhibitors which reflects a degree of non-additivity in the SAR. An X-ray crystal structure was determined for the ligand-protein complex for the structural prototype for the series. Twenty three inhibitors were also evaluated for their anti-trypanosomal effects and an EC50 value of 28 μM was observed for the most potent of these. Although there remains scope for further optimization, the knowledge gained from this study is also transferable to the design of cruzain inhibitors based on warheads other than nitrile as well as alternative scaffolds. Date A point or period of time associated with an event in the lifecycle of the resource 2015 Identifier An unambiguous reference to the resource within a given context DOI: 10.1371/journal.pntd.0003916 Source A related resource from which the described resource is derived PLoS Neglected Tropical Diseases Publisher An entity responsible for making the resource available Public Library of Science (PLoS) Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Arctic medicine. Tropical medicine, Public aspects of medicine Language A language of the resource EN