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A series of eight sulfonamide\u2010chalcone hybrids were made with good yields (up to 95%). These sulfonamide\u2010chalcones were tested against promastigotes of <jats:italic>Leishmania amazonensis<\/jats:italic> and cytotoxicity against mouse macrophages, which showed good antileishmanial activity with IC<jats:sub>50<\/jats:sub>\u2009=\u20091.72\u20133.19\u2009\u00b5M. Three of them (<jats:bold>10c<\/jats:bold>, <jats:bold>10g<\/jats:bold>, and <jats:bold>10h<\/jats:bold>) were also highly active against intracellular amastigotes and had a good selectivity index (SI\u2009&gt;\u20099). Thus, those three compounds were docked in the cytosolic tryparedoxin peroxidase (cTXNPx) enzyme of the parasite, and molecular dynamics simulations were carried out. This enzyme was selected as a target protein for the sulfonamide\u2010chalcones due to the fact of the anterior report, which identified a strong and stable interaction between the chalcone NAT22 (<jats:bold>6<\/jats:bold>) and the cTXNPx. In addition, a prediction of the drug\u2010likeness, and the pharmacokinetic profile of all compounds were made, demonstrating a good profile of those chalcones.<\/jats:p>","DOI":"10.1002\/ardp.202300440","type":"journal-article","created":{"date-parts":[[2023,12,4]],"date-time":"2023-12-04T21:25:15Z","timestamp":1701725115000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":9,"title":["Synthesis and evaluation of hybrid sulfonamide\u2010chalcones with potential antileishmanial activity"],"prefix":"10.1002","volume":"357","author":[{"ORCID":"https:\/\/orcid.org\/0009-0005-6520-8894","authenticated-orcid":false,"given":"Nathalia S.","family":"de Oliveira","sequence":"first","affiliation":[{"name":"Laborat\u00f3rio de Catalise Org\u00e2nica, Instituto de Pesquisa de Produtos Naturais Universidade Federal do Rio de Janeiro  Rio de Janeiro Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8747-8976","authenticated-orcid":false,"given":"Luana G.","family":"de Souza","sequence":"additional","affiliation":[{"name":"Laborat\u00f3rio de Catalise Org\u00e2nica, Instituto de Pesquisa de Produtos Naturais Universidade Federal do Rio de Janeiro  Rio de Janeiro Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7902-6876","authenticated-orcid":false,"given":"Vitor M.","family":"de Almeida","sequence":"additional","affiliation":[{"name":"Laborat\u00f3rio de Modelagem Molecular e Biologia Estrutural Computacional, Instituto de Pesquisas de Produtos Naturais Universidade Federal do Rio de Janeiro  Rio de Janeiro Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0771-8678","authenticated-orcid":false,"given":"Arielly R. 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