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Parasite metallo\u2010aminopeptidases are potential therapeutic targets, as they perform crucial biological functions during parasite development within the human host. Here, we describe the synthesis and biological evaluation of two libraries consisting of a total of 74 peptoid\u2010based compounds. The synthetic approaches use a multicomponent reaction to install various diversity elements, and in library one, this is followed by subsequent coupling to \u03b1\u2010amino acids to create further diversity within a peptoid\u2010peptide hybrid skeleton. The libraries were evaluated against three metallo\u2010aminopeptidases: PfA\u2010M1 from\n                    <jats:italic>Plasmodium falciparum<\/jats:italic>\n                    , TcLAP from\n                    <jats:italic>Trypanosoma cruzi<\/jats:italic>\n                    , and LmLAP from\n                    <jats:italic>Leishmania major<\/jats:italic>\n                    , which allowed the discovery of moderate to potent inhibitors of each enzyme. Molecular docking studies were conducted to help understand the binding mode of the inhibitors with the enzymes, predicting the importance of hydrophobic interactions in the inhibition process.\n                  <\/jats:p>","DOI":"10.1002\/cmdc.70433","type":"journal-article","created":{"date-parts":[[2026,9,11]],"date-time":"2026-09-11T05:24:12Z","timestamp":1789104252000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Synthesis and Evaluation of Peptoid\u2010Based Compound Libraries as Inhibitors of Parasite Metallo\u2010Aminopeptidases"],"prefix":"10.1002","volume":"21","author":[{"given":"Mirta Elisa","family":"Aguado","sequence":"first","affiliation":[{"name":"Center for Protein Studies Faculty of Biology University of Havana  Havana Cuba"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9639-7852","authenticated-orcid":false,"given":"Gerardo M.","family":"Ojeda\u2010Carralero","sequence":"additional","affiliation":[{"name":"Laboratory of Synthetic and Biomolecular Chemistry Faculty of Chemistry University of Havana  Havana Cuba"},{"name":"Laboratory for Organic and Microwave\u2010assisted Chemistry (LOMAC) Department of Chemistry  Leuven Belgium"},{"name":"Department of Bioorganic Chemistry Leibniz Institute of Plant Biochemistry  Halle (Saale) Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0008-0104-7421","authenticated-orcid":false,"given":"Mario Antonio","family":"Rodr\u00edguez","sequence":"additional","affiliation":[{"name":"Center for Protein Studies Faculty of Biology University of Havana  Havana Cuba"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0006-7728-7427","authenticated-orcid":false,"given":"Isabella","family":"R\u00faa","sequence":"additional","affiliation":[{"name":"Center for Protein Studies Faculty of Biology University of Havana  Havana Cuba"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Heisy","family":"Guerra","sequence":"additional","affiliation":[{"name":"Center for Protein Studies Faculty of Biology University of Havana  Havana Cuba"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0004-7906-8581","authenticated-orcid":false,"given":"Edoardo Bailo","family":"Hern\u00e1ndez","sequence":"additional","affiliation":[{"name":"Laboratory of Synthetic and Biomolecular Chemistry Faculty of Chemistry University of Havana  Havana Cuba"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9744-3665","authenticated-orcid":false,"given":"Guglielmo","family":"Coppola","sequence":"additional","affiliation":[{"name":"Laboratory for Organic and Microwave\u2010assisted Chemistry (LOMAC) Department of Chemistry  Leuven Belgium"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Susana","family":"Alberti","sequence":"additional","affiliation":[{"name":"Center for Protein Studies Faculty of Biology University of Havana  Havana Cuba"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ariatne","family":"Rodr\u00edguez","sequence":"additional","affiliation":[{"name":"Center for Protein Studies Faculty of Biology University of Havana  Havana Cuba"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Maikel","family":"Izquierdo","sequence":"additional","affiliation":[{"name":"Center for Protein Studies Faculty of Biology University of Havana  Havana Cuba"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Christian","family":"Betzel","sequence":"additional","affiliation":[{"name":"Institute of Biochemistry and Molecular Biology Laboratory for Structural Biology of Infection and Inflammation University of Hamburg  Hamburg Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Filippo","family":"Pettazzi","sequence":"additional","affiliation":[{"name":"Laboratory for Organic and Microwave\u2010assisted Chemistry (LOMAC) Department of Chemistry  Leuven Belgium"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Julieta","family":"Coro\u2010Bermello","sequence":"additional","affiliation":[{"name":"Laboratory of Synthetic and Biomolecular Chemistry Faculty of Chemistry University of Havana  Havana Cuba"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Erik V. Van der","family":"Eycken","sequence":"additional","affiliation":[{"name":"Laboratory for Organic and Microwave\u2010assisted Chemistry (LOMAC) Department of Chemistry  Leuven Belgium"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6228-5991","authenticated-orcid":false,"given":"Bernhard","family":"Westermann","sequence":"additional","affiliation":[{"name":"Department of Bioorganic Chemistry Leibniz Institute of Plant Biochemistry  Halle (Saale) Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7155-9165","authenticated-orcid":false,"given":"Jorge","family":"Gonz\u00e1lez\u2010Bacerio","sequence":"additional","affiliation":[{"name":"Center for Protein Studies Faculty of Biology University of Havana  Havana Cuba"},{"name":"Institute of Biochemistry and Molecular Biology Laboratory for Structural Biology of Infection and Inflammation University of Hamburg  Hamburg 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