{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,13]],"date-time":"2026-10-13T01:52:43Z","timestamp":1791856363322,"version":"4.3.4"},"reference-count":73,"publisher":"MDPI AG","issue":"20","license":[{"start":{"date-parts":[[2022,10,13]],"date-time":"2022-10-13T00:00:00Z","timestamp":1665619200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"National Council for Science and Technology","award":["CF-2019-01-170715"],"award-info":[{"award-number":["CF-2019-01-170715"]}]},{"name":"National Council for Science and Technology","award":["CPI\/300\/735\/E"],"award-info":[{"award-number":["CPI\/300\/735\/E"]}]},{"DOI":"10.13039\/501100007228","name":"Autonomous University of Baja California","doi-asserted-by":"publisher","award":["CF-2019-01-170715"],"award-info":[{"award-number":["CF-2019-01-170715"]}],"id":[{"id":"10.13039\/501100007228","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100007228","name":"Autonomous University of Baja California","doi-asserted-by":"publisher","award":["CPI\/300\/735\/E"],"award-info":[{"award-number":["CPI\/300\/735\/E"]}],"id":[{"id":"10.13039\/501100007228","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>Naegleria fowleri, also known as the \u201cbrain-eating\u201d amoeba, is a free-living protozoan that resides in freshwater bodies. This pathogenic amoeba infects humans as a casual event when swimming in contaminated water. Upon inhalation, N. fowleri invades the central nervous system and causes primary amoebic meningoencephalitis (PAM), a rapidly progressive and often fatal disease. Although PAM is considered rare, reducing its case fatality rate compels the search for pathogen-specific proteins with a structure\u2013function relationship that favors their application as targets for discovering new or improved drugs against N. fowleri infections. Herein, we report a computational approach to study the structural features of Nf314 (a serine carboxypeptidase that is a virulence-related protein in N. fowleri infections) and assess its potential as a drug target, using bioinformatics tools and in silico molecular docking experiments. Our findings suggest that Nf314 has a ligand binding site suitable for the structure-based design of specific inhibitors. This study represents a further step toward postulating a reliable therapeutic target to treat PAM with drugs specifically aimed at blocking the pathogen proliferation by inhibiting protein function.<\/jats:p>","DOI":"10.3390\/ijms232012203","type":"journal-article","created":{"date-parts":[[2022,10,13]],"date-time":"2022-10-13T22:21:11Z","timestamp":1665699671000},"page":"12203","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":6,"title":["In Silico Structural Analysis of Serine Carboxypeptidase Nf314, a Potential Drug Target in Naegleria fowleri Infections"],"prefix":"10.3390","volume":"23","author":[{"given":"Pablo A.","family":"Madero-Ayala","sequence":"first","affiliation":[{"name":"Biotechnology and Biosciences Research Group, Faculty of Chemical Sciences and Engineering, Autonomous University of Baja California, Tijuana 22390, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6102-6966","authenticated-orcid":false,"given":"Rosa E.","family":"Mares-Alejandre","sequence":"additional","affiliation":[{"name":"Biotechnology and Biosciences Research Group, Faculty of Chemical Sciences and Engineering, Autonomous University of Baja California, Tijuana 22390, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8950-2079","authenticated-orcid":false,"given":"Marco A.","family":"Ramos-Ibarra","sequence":"additional","affiliation":[{"name":"Biotechnology and Biosciences Research Group, Faculty of Chemical Sciences and Engineering, Autonomous University of Baja California, Tijuana 22390, Mexico"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2022,10,13]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1007\/BF02907561","article-title":"Serine carboxypeptidases. 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