{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T01:44:42Z","timestamp":1760060682065,"version":"build-2065373602"},"reference-count":110,"publisher":"MDPI AG","issue":"18","license":[{"start":{"date-parts":[[2025,9,11]],"date-time":"2025-09-11T00:00:00Z","timestamp":1757548800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia (FCT)","doi-asserted-by":"publisher","award":["2023.03356.BD","402647\/2024-6","404134\/2024-6"],"award-info":[{"award-number":["2023.03356.BD","402647\/2024-6","404134\/2024-6"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Chamada P\u00fablica","award":["2023.03356.BD","402647\/2024-6","404134\/2024-6"],"award-info":[{"award-number":["2023.03356.BD","402647\/2024-6","404134\/2024-6"]}]},{"name":"CHAMADA P\u00daBLICA","award":["2023.03356.BD","402647\/2024-6","404134\/2024-6"],"award-info":[{"award-number":["2023.03356.BD","402647\/2024-6","404134\/2024-6"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Neglected tropical diseases (NTDs) constitute a group of infectious diseases that severely affect the health of impoverished populations, and the health, economies, and health systems of affected countries. Leishmaniasis and human African trypanosomiasis (HAT) are particularly notable, and malaria, despite not being neglected, is part of the \u201cbig three\u201d (HIV, tuberculosis, and malaria) with high incidence, increasing the probability of infection by NTDs. Therefore, efforts are ongoing in the search for new drugs targeting the enzyme N-myristoyltransferase (NMT), a potential drug target that has been explored. Thus, we provide a review here that highlights the epidemiological data for these diseases and the importance of discovering new drugs against these agents. Here, the importance of NMT and its inhibitors is clear, with this study highlighting thiochromene, pyrazole, thienopyridine, oxadiazole, benzothiophene, and quinoline scaffolds, identified by computational methods followed by biological assays to validate the findings; for example, this study shows the action of the aminoacylpyrrolidine derivative 13 against Leishmania donovani NMT (IC50 of 1.6 nM) and the pyrazole analog 23 against Plasmodium vivax NMT (IC50 of 9.48 nM), providing several insights that can be used in drug design in further work. Furthermore, the selectivity and improvement in activity are related to interactions with the residues Val81, Phe90, Tyr217, Tyr326, Tyr345, and Met420 for leishmaniasis (LmNMT); Tyr211, Leu410, and Ser319 for malaria (PvNMT); and Lys25 and Lys389 for HAT (TbNMT). We hope our work provides valuable insights that research groups worldwide can use to search for innovative drugs to combat these diseases.<\/jats:p>","DOI":"10.3390\/molecules30183703","type":"journal-article","created":{"date-parts":[[2025,9,11]],"date-time":"2025-09-11T14:23:50Z","timestamp":1757600630000},"page":"3703","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["N-Myristoyltransferase Inhibition in Parasitic Pathogens: Insights from Computer-Aided Drug Design"],"prefix":"10.3390","volume":"30","author":[{"given":"Fernanda de Fran\u00e7a Genu\u00edno Ramos","family":"Campos","sequence":"first","affiliation":[{"name":"Drug Development and Synthesis Laboratory, Department of Pharmacy, State University of Para\u00edba, Campina Grande 58429-500, Brazil"}]},{"given":"Willian Charles da Silva","family":"Moura","sequence":"additional","affiliation":[{"name":"Drug Development and Synthesis Laboratory, Department of Pharmacy, State University of Para\u00edba, Campina Grande 58429-500, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9724-0147","authenticated-orcid":false,"given":"Diego","family":"Rom\u00e1rio-Silva","sequence":"additional","affiliation":[{"name":"Department of Dentistry, State University of Para\u00edba, Campina Grande 58429-500, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2403-8746","authenticated-orcid":false,"given":"Rodrigo Santos Aquino de","family":"Ara\u00fajo","sequence":"additional","affiliation":[{"name":"Postgraduate Program in Natural and Bioactive Synthetic Products, Federal University of Para\u00edba, Jo\u00e3o Pessoa 58051-900, Brazil"},{"name":"Postgraduate Program of Pharmaceutical Sciences, Pharmacy Department, State University of Para\u00edba, Campina Grande 58429-500, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3906-694X","authenticated-orcid":false,"given":"In\u00eas","family":"Morais","sequence":"additional","affiliation":[{"name":"Global Health and Tropical Medicine (GHTM), Associate Laboratory in Translation and Innovation Towards Global Health (LA-REAL), Instituto de Higiene e Medicina Tropical (IHMT), Universidade NOVA de Lisboa (UNL), Rua da Junqueira 100, 1349-008 Lisboa, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5850-6950","authenticated-orcid":false,"given":"Sofia","family":"Cortes","sequence":"additional","affiliation":[{"name":"Global Health and Tropical Medicine (GHTM), Associate Laboratory in Translation and Innovation Towards Global Health (LA-REAL), Instituto de Higiene e Medicina Tropical (IHMT), Universidade NOVA de Lisboa (UNL), Rua da Junqueira 100, 1349-008 Lisboa, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0313-0778","authenticated-orcid":false,"given":"F\u00e1tima","family":"Nogueira","sequence":"additional","affiliation":[{"name":"Global Health and Tropical Medicine (GHTM), Associate Laboratory in Translation and Innovation Towards Global Health (LA-REAL), Instituto de Higiene e Medicina Tropical (IHMT), Universidade NOVA de Lisboa (UNL), Rua da Junqueira 100, 1349-008 Lisboa, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1590-3750","authenticated-orcid":false,"given":"Ricardo Olimpio de","family":"Moura","sequence":"additional","affiliation":[{"name":"Drug Development and Synthesis Laboratory, Department of Pharmacy, State University of Para\u00edba, Campina Grande 58429-500, Brazil"},{"name":"Postgraduate Program of Pharmaceutical Sciences, Pharmacy Department, State University of Para\u00edba, Campina Grande 58429-500, Brazil"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2664-4336","authenticated-orcid":false,"given":"Igor Jos\u00e9 dos Santos","family":"Nascimento","sequence":"additional","affiliation":[{"name":"Drug Development and Synthesis Laboratory, Department of Pharmacy, State University of Para\u00edba, Campina Grande 58429-500, Brazil"},{"name":"Postgraduate Program of Pharmaceutical Sciences, Pharmacy Department, State University of Para\u00edba, Campina Grande 58429-500, Brazil"},{"name":"Global Health and Tropical Medicine (GHTM), Associate Laboratory in Translation and Innovation Towards Global Health (LA-REAL), Instituto de Higiene e Medicina Tropical (IHMT), Universidade NOVA de Lisboa (UNL), Rua da Junqueira 100, 1349-008 Lisboa, Portugal"}]}],"member":"1968","published-online":{"date-parts":[[2025,9,11]]},"reference":[{"key":"ref_1","unstructured":"(2024). 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