{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,27]],"date-time":"2026-09-27T13:20:06Z","timestamp":1790515206360,"version":"4.1.0"},"reference-count":94,"publisher":"MDPI AG","issue":"1","license":[{"start":{"date-parts":[[2017,1,3]],"date-time":"2017-01-03T00:00:00Z","timestamp":1483401600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>This review presents an survey to the biological importance of sesquiterpene lactones (SLs) in the fight against four infectious neglected tropical diseases (NTDs)\u2014leishmaniasis, schistosomiasis, Chagas disease, and sleeping sickness\u2014as alternatives to the current chemotherapies that display several problems such as low effectiveness, resistance, and high toxicity. Several studies have demonstrated the great potential of some SLs as therapeutic agents for these NTDs and the relationship between the protozoal activities with their chemical structure. Recently, Computer-Aided Drug Design (CADD) studies have helped increase the knowledge of SLs regarding their mechanisms, the discovery of new lead molecules, the identification of pharmacophore groups and increase the biological activity by employing in silico tools such as molecular docking, virtual screening and Quantitative-Structure Activity Relationship (QSAR) studies.<\/jats:p>","DOI":"10.3390\/molecules22010079","type":"journal-article","created":{"date-parts":[[2017,1,3]],"date-time":"2017-01-03T10:26:49Z","timestamp":1483439209000},"page":"79","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":36,"title":["Computer-Aided Drug Design Using Sesquiterpene Lactones as Sources of New Structures with Potential Activity against Infectious Neglected Diseases"],"prefix":"10.3390","volume":"22","author":[{"given":"Chonny","family":"Herrera Acevedo","sequence":"first","affiliation":[{"name":"Post-Graduate Program in Natural and Synthetic Bioactive Products, Federal University of Para\u00edba, 58051-900 Jo\u00e3o Pessoa, PB, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1866-4107","authenticated-orcid":false,"given":"Luciana","family":"Scotti","sequence":"additional","affiliation":[{"name":"Post-Graduate Program in Natural and Synthetic Bioactive Products, Federal University of Para\u00edba, 58051-900 Jo\u00e3o Pessoa, PB, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mateus","family":"Feitosa Alves","sequence":"additional","affiliation":[{"name":"Post-Graduate Program in Natural and Synthetic Bioactive Products, Federal University of Para\u00edba, 58051-900 Jo\u00e3o Pessoa, PB, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Margareth","family":"Formiga Melo Diniz","sequence":"additional","affiliation":[{"name":"Post-Graduate Program in Natural and Synthetic Bioactive Products, Federal University of Para\u00edba, 58051-900 Jo\u00e3o Pessoa, PB, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4863-8057","authenticated-orcid":false,"given":"Marcus","family":"Scotti","sequence":"additional","affiliation":[{"name":"Post-Graduate Program in Natural and Synthetic Bioactive Products, Federal University of Para\u00edba, 58051-900 Jo\u00e3o Pessoa, PB, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2017,1,3]]},"reference":[{"key":"ref_1","unstructured":"World Health Organization (WHO) (2015). 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