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Currently available drugs for treating leishmaniasis include amphotericin B, paromomycin, and pentavalent antimonials, which have been associated with several limitations, such as low efficacy, the development of drug resistance, and high toxicity. Natural products are an interesting source of new drug candidates. The Asteraceae family includes more than 23\u2009000 species worldwide. Secondary metabolites that can be found in species from this family have been widely explored as potential new treatments for leishmaniasis. Recently, computational tools have become more popular in medicinal chemistry to establish experimental designs, identify new drugs, and compare the molecular structures and activities of novel compounds. Herein, we review various studies that have used computational tools to examine various compounds identified in the Asteraceae family in the search for potential drug candidates against <jats:italic>Leishmania<\/jats:italic>.<\/jats:p>","DOI":"10.1002\/cmdc.202000862","type":"journal-article","created":{"date-parts":[[2020,12,18]],"date-time":"2020-12-18T09:38:29Z","timestamp":1608284309000},"page":"1234-1245","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":5,"title":["Discovery of Alternative Chemotherapy Options for Leishmaniasis through Computational Studies of Asteraceae"],"prefix":"10.1002","volume":"16","author":[{"given":"Chonny","family":"Herrera\u2010Acevedo","sequence":"first","affiliation":[{"name":"Post-Graduate Program in Natural and Synthetic Bioactive Products Federal University of Para\u00edba  Cidade Universit\u00e1ria\u2013Castelo Branco III Joao Pessoa PB Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Camilo","family":"Perdomo\u2010Madrigal","sequence":"additional","affiliation":[{"name":"School of Science Universidad de Ciencias Aplicadas y Ambientales  Calle 222 n\u00b0 55\u201337 Bogot\u00e1 D.C. 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