{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,19]],"date-time":"2026-09-19T04:35:32Z","timestamp":1789792532730,"version":"4.0.1"},"reference-count":83,"publisher":"MDPI AG","issue":"6","license":[{"start":{"date-parts":[[2025,6,15]],"date-time":"2025-06-15T00:00:00Z","timestamp":1749945600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Coordination for the Improvement of Higher Education Personnel in Brazil (CAPES)","award":["001"],"award-info":[{"award-number":["001"]}]},{"name":"Coordination for the Improvement of Higher Education Personnel in Brazil (CAPES)","award":["406837\/2021-0"],"award-info":[{"award-number":["406837\/2021-0"]}]},{"name":"Coordination for the Improvement of Higher Education Personnel in Brazil (CAPES)","award":["316204\/2021-8"],"award-info":[{"award-number":["316204\/2021-8"]}]},{"name":"National Council for Scientific and Technological Development (CNPq)","award":["001"],"award-info":[{"award-number":["001"]}]},{"name":"National Council for Scientific and Technological Development (CNPq)","award":["406837\/2021-0"],"award-info":[{"award-number":["406837\/2021-0"]}]},{"name":"National Council for Scientific and Technological Development (CNPq)","award":["316204\/2021-8"],"award-info":[{"award-number":["316204\/2021-8"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Pathogens"],"abstract":"<jats:p>Schistosomiasis mansoni is a neglected tropical disease caused by the parasite Schistosoma mansoni, affecting approximately 200 million people annually. Currently, treatment relies primarily on a single drug, praziquantel (PZQ), which shows limited efficacy against the parasite\u2019s immature forms. As a result, Thioredoxin Glutathione Reductase from S. mansoni (SmTGR) has emerged as a promising target for novel drug development. This study presents the development of integrated in silico methods to identify alkaloids from medicinal plants with potential activity against S. mansoni. Fourteen alkaloids were identified, with predicted activity ranging from 61.3 to 85.2%. Among these, lindoldhamine and daibucarboline A demonstrated, for the first time, potential SmTGR inhibition, with probabilities of 85.2% and 75.8%, respectively. These findings highlight the potential of these alkaloids as promising candidates for the development of new therapies against schistosomiasis.<\/jats:p>","DOI":"10.3390\/pathogens14060591","type":"journal-article","created":{"date-parts":[[2025,6,16]],"date-time":"2025-06-16T10:47:22Z","timestamp":1750070842000},"page":"591","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Novel Antischistosomal Drug Targets: Identification of Alkaloid Inhibitors of SmTGR via Integrated In Silico Methods"],"prefix":"10.3390","volume":"14","author":[{"given":"Val\u00e9ria V. M.","family":"Paix\u00e3o","sequence":"first","affiliation":[{"name":"Posgraduate Program in Chemistry\u2014PPGQ, Federal University of Sergipe, Av. Marcelo Deda Chagas, s\/n, Bairro Rosa Elze, S\u00e3o Crist\u00f3v\u00e3o 49107-230, SE, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0006-2480-7978","authenticated-orcid":false,"given":"Yria J. A.","family":"Santos","sequence":"additional","affiliation":[{"name":"Posgraduate Program in Chemistry\u2014PPGQ, Federal University of Sergipe, Av. Marcelo Deda Chagas, s\/n, Bairro Rosa Elze, S\u00e3o Crist\u00f3v\u00e3o 49107-230, SE, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Adriana O.","family":"Fernandes","sequence":"additional","affiliation":[{"name":"Postgraduate Program in Biotechnology\u2014PROBIO, Federal University of Sergipe, Av. Marcelo Deda Chagas, s\/n, Bairro Rosa Elze, S\u00e3o Crist\u00f3v\u00e3o 49107-230, SE, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Elaine S.","family":"Concei\u00e7\u00e3o","sequence":"additional","affiliation":[{"name":"Posgraduate Program in Chemistry\u2014PPGQ, Federal University of Sergipe, Av. 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Marcelo Deda Chagas, s\/n, Bairro Rosa Elze, S\u00e3o Crist\u00f3v\u00e3o 49107-230, SE, Brazil"},{"name":"Postgraduate Program in Pharmaceutical Sciences, Federal University of Sergipe, Av. Marcelo Deda Chagas, s\/n, Bairro Rosa Elze, S\u00e3o Crist\u00f3v\u00e3o 49107-230, SE, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7578-9497","authenticated-orcid":false,"given":"Tiago B.","family":"Oliveira","sequence":"additional","affiliation":[{"name":"Posgraduate Program in Chemistry\u2014PPGQ, Federal University of Sergipe, Av. Marcelo Deda Chagas, s\/n, Bairro Rosa Elze, S\u00e3o Crist\u00f3v\u00e3o 49107-230, SE, Brazil"},{"name":"Postgraduate Program in Biotechnology\u2014PROBIO, Federal University of Sergipe, Av. Marcelo Deda Chagas, s\/n, Bairro Rosa Elze, S\u00e3o Crist\u00f3v\u00e3o 49107-230, SE, Brazil"},{"name":"Pharmacy Department, Federal University of Sergipe, Av. Marcelo Deda Chagas, s\/n, Bairro Rosa Elze, S\u00e3o Crist\u00f3v\u00e3o 49107-230, SE, Brazil"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2025,6,15]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"939","DOI":"10.1021\/acsinfecdis.0c00542","article-title":"Alternatives to Praziquantel for the Prevention and Control of Schistosomiasis","volume":"7","author":"Spangenberg","year":"2021","journal-title":"ACS Infect. Dis."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"1522","DOI":"10.1002\/ccr3.2922","article-title":"Schistosomiasis and Liver Disease: Learning from the Past to Understand the Present","volume":"8","author":"Abdelghani","year":"2020","journal-title":"Clin. Case Rep."},{"key":"ref_3","doi-asserted-by":"crossref","unstructured":"Braun, L., Grimes, J.E.T., and Templeton, M.R. (2018). 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