{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,28]],"date-time":"2026-08-28T18:40:43Z","timestamp":1787942443448,"version":"build-2784847793"},"reference-count":28,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2025,8,1]],"date-time":"2025-08-01T00:00:00Z","timestamp":1754006400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2025,8,1]],"date-time":"2025-08-01T00:00:00Z","timestamp":1754006400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2025,8,1]],"date-time":"2025-08-01T00:00:00Z","timestamp":1754006400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2025,8,1]],"date-time":"2025-08-01T00:00:00Z","timestamp":1754006400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,8,1]],"date-time":"2025-08-01T00:00:00Z","timestamp":1754006400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2025,8,1]],"date-time":"2025-08-01T00:00:00Z","timestamp":1754006400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,8,1]],"date-time":"2025-08-01T00:00:00Z","timestamp":1754006400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100003593","name":"National Council for Scientific and Technological Development","doi-asserted-by":"publisher","award":["406744\/2022\\u20130"],"award-info":[{"award-number":["406744\/2022\\u20130"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"National Council for Scientific and Technological Development","doi-asserted-by":"publisher","award":["309260\/2022\\u20131"],"award-info":[{"award-number":["309260\/2022\\u20131"]}],"id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002322","name":"Coordination of Higher Education Personnel Improvement","doi-asserted-by":"publisher","award":["88887.954439\/2024\\u201300"],"award-info":[{"award-number":["88887.954439\/2024\\u201300"]}],"id":[{"id":"10.13039\/501100002322","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002613","name":"Ulsan National Institute of Science and Technology","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100002613","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004901","name":"Funda\u00e7\u00e3o de Amparo \u00e0 Pesquisa do Estado de Minas Gerais","doi-asserted-by":"publisher","award":["RED-00082-23"],"award-info":[{"award-number":["RED-00082-23"]}],"id":[{"id":"10.13039\/501100004901","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004901","name":"Funda\u00e7\u00e3o de Amparo \u00e0 Pesquisa do Estado de Minas Gerais","doi-asserted-by":"publisher","award":["APQ-02103-23"],"award-info":[{"award-number":["APQ-02103-23"]}],"id":[{"id":"10.13039\/501100004901","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004612","name":"Funda\u00e7\u00e3o Arauc\u00e1ria","doi-asserted-by":"publisher","award":["22.023.510\\u20136"],"award-info":[{"award-number":["22.023.510\\u20136"]}],"id":[{"id":"10.13039\/501100004612","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004612","name":"Funda\u00e7\u00e3o Arauc\u00e1ria","doi-asserted-by":"publisher","award":["\/ PDI 22.023.510\\u20136"],"award-info":[{"award-number":["\/ PDI 22.023.510\\u20136"]}],"id":[{"id":"10.13039\/501100004612","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Bioorganic Chemistry"],"published-print":{"date-parts":[[2025,8]]},"DOI":"10.1016\/j.bioorg.2025.108759","type":"journal-article","created":{"date-parts":[[2025,7,18]],"date-time":"2025-07-18T15:43:42Z","timestamp":1752853422000},"page":"108759","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":4,"special_numbering":"C","title":["Inhibitory activity of amino acid derivatives against native Cryptococcus neoformans urease and ligand-enzyme binding profile by nuclear Paramagnetic Relaxation Enhancement and Saturation Transfer Difference NMR"],"prefix":"10.1016","volume":"163","author":[{"given":"Danilo H.","family":"Carlo","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Paulo Henrique Guilherme","family":"Borges","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sueli Fumie","family":"Yamada-Ogatta","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Priscila Goes","family":"Camargo","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"\u00c2ngelo","family":"de F\u00e1tima","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Aline Domingues","family":"Batista","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fernando","family":"Macedo Jr.","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.bioorg.2025.108759_bb0005","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/j.jare.2018.05.010","article-title":"Ureases: historical aspects, catalytic, and non-catalytic properties \u2013 a review","volume":"13","author":"Kappaun","year":"2018","journal-title":"J. Adv. Res."},{"key":"10.1016\/j.bioorg.2025.108759_bb0010","doi-asserted-by":"crossref","first-page":"9","DOI":"10.1016\/j.molcatb.2009.01.003","article-title":"Functional, catalytic and kinetic properties: a review","volume":"59","author":"Krajewska","year":"2009","journal-title":"J. Mol. Catal. B: Enzym."},{"key":"10.1016\/j.bioorg.2025.108759_bb0015","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1016\/j.jare.2018.05.003","article-title":"A review on the development of urease inhibitors as antimicrobial agents against pathogenic bacteria","volume":"13","author":"Rego","year":"2018","journal-title":"J. Adv. Res."},{"key":"10.1016\/j.bioorg.2025.108759_bb0020","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2019.103359","article-title":"Atenolol thiourea hybrid as potent urease inhibitors: design, biology-oriented drug synthesis, inhibitory activity screening, and molecular docking studies","volume":"94","author":"Wahid","year":"2020","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bioorg.2025.108759_bb0025","doi-asserted-by":"crossref","first-page":"7415","DOI":"10.1002\/anie.201903565","article-title":"The structure of the elusive urease\u2013urea complex unveils the mechanism of a paradigmatic nickel-dependent enzyme","volume":"58","author":"Mazzei","year":"2019","journal-title":"Angew. Chem. Int. Ed."},{"key":"10.1016\/j.bioorg.2025.108759_bb0030","doi-asserted-by":"crossref","first-page":"209","DOI":"10.1590\/1678-4685-gmb-2016-0107","article-title":"Effect of soybean ureases on seed germination and plant development","volume":"40","author":"Rechenmacher","year":"2017","journal-title":"Genet. Mol. Biol."},{"key":"10.1016\/j.bioorg.2025.108759_bb0035","doi-asserted-by":"crossref","DOI":"10.1038\/s41598-023-50061-z","article-title":"Urease inhibitors technologies as strategy to mitigate agricultural ammonia emissions and enhance the use efficiency of urea-based fertilizers","volume":"13","author":"Fonseca","year":"2023","journal-title":"Sci. Rep."},{"key":"10.1016\/j.bioorg.2025.108759_bb0040","article-title":"Synergistic inhibition of ureolytic activity and growth of Klebsiella pneumoniae in vitro suggests cobinding of fluoride and acetohydroxamic acid at the urease active site and provides a novel strategy to combat ureolytic bacteria","volume":"10","author":"Svane","year":"2024","journal-title":"Helyon"},{"key":"10.1016\/j.bioorg.2025.108759_bb0045","doi-asserted-by":"crossref","first-page":"789","DOI":"10.2174\/138920312804871094","article-title":"Bacterial urease and its role in long-lasting human diseases","volume":"13","author":"Konieczna","year":"2018","journal-title":"Curr. Protein Pept. Sci."},{"key":"10.1016\/j.bioorg.2025.108759_bb0050","doi-asserted-by":"crossref","first-page":"1683","DOI":"10.1172\/JCI41963","article-title":"Real-time imaging of trapping and urease-dependent transmigration of Cryptococcus neoformans in mouse brain","volume":"120","author":"Shi","year":"2010","journal-title":"J. Clin. Invest."},{"key":"10.1016\/j.bioorg.2025.108759_bb0055","article-title":"Synergistic antifungal interaction of N-(butylcarbamothioyl) benzamide and amphotericin B against Cryptococcus neoformans","volume":"14","author":"Andriani","year":"2025","journal-title":"Front. Microbiol."},{"key":"10.1016\/j.bioorg.2025.108759_bb0060","doi-asserted-by":"crossref","DOI":"10.1016\/j.cbi.2022.110045","article-title":"Thiohydantoins and hydantoins derived from amino acids as potent urease inhibitors: inhibitory activity and ligand-target interactions","volume":"365","author":"Camargo","year":"2022","journal-title":"Chem. Biol. Interact."},{"key":"10.1016\/j.bioorg.2025.108759_bb0065","doi-asserted-by":"crossref","first-page":"515","DOI":"10.2174\/1570180811310060007","article-title":"Discovery and study of the binding epitopes of novel urease inhibitors by STD NMR spectroscopy and biochemical analyses","volume":"10","author":"Wahab","year":"2013","journal-title":"Lett. Drug Des. Discov."},{"key":"10.1016\/j.bioorg.2025.108759_bb0070","doi-asserted-by":"crossref","first-page":"30859","DOI":"10.1039\/D4RA01732C","article-title":"Insights into the molecular interactions between urease subunit gamma from MRSA and drugs: an integrative approach by STD-NMR and molecular docking studies","volume":"14","author":"Fatima","year":"2024","journal-title":"RSC Adv."},{"key":"10.1016\/j.bioorg.2025.108759_bb0075","doi-asserted-by":"crossref","first-page":"792","DOI":"10.1016\/j.jmgm.2010.02.004","article-title":"Identification of potent urease-inhibitors via ligand- and structure-based virtual screening and in vitro assays","volume":"28","author":"Khan","year":"2010","journal-title":"J. Mol. Graph. Model."},{"key":"10.1016\/j.bioorg.2025.108759_bb0080","doi-asserted-by":"crossref","DOI":"10.1038\/s41598-022-05736-4","article-title":"Design and synthesis of novel nitrothiazolacetamide conjugated to different thioquinazolinone derivatives as anti-urease agents","volume":"12","author":"Sohrabi","year":"2022","journal-title":"Sci. Rep."},{"key":"10.1016\/j.bioorg.2025.108759_bb0085","doi-asserted-by":"crossref","first-page":"971","DOI":"10.1021\/ac60252a045","article-title":"Phenol-hypochlorite reaction for determination of Ammonia","volume":"39","author":"Weaterburn","year":"1967","journal-title":"Anal. Chem."},{"key":"10.1016\/j.bioorg.2025.108759_bb0090","series-title":"LCC, Urease Activity Assay Kit, Technical Bulletin","author":"Sigma-Aldrich Co","year":"2013"},{"key":"10.1016\/j.bioorg.2025.108759_bb0095","doi-asserted-by":"crossref","first-page":"2452","DOI":"10.1007\/s00044-017-1945-3","article-title":"Studies on new urease inhibitors by using biochemical, STD-NMR spectroscopy, and molecular docking methods","volume":"26","author":"Khan","year":"2017","journal-title":"Med. Chem. Res."},{"key":"10.1016\/j.bioorg.2025.108759_bb0100","series-title":"Levitt Spin Dynamics: Basics of Nuclear Magnetic Resonance","first-page":"295","author":"M.","year":"2008"},{"key":"10.1016\/j.bioorg.2025.108759_bb0105","doi-asserted-by":"crossref","first-page":"990","DOI":"10.1021\/ed101169t","article-title":"Saturation-transfer difference (STD) NMR: a simple and fast method for ligand screening and characterization of protein binding","volume":"88","author":"Viegas","year":"2011","journal-title":"J. Chem. Educ."},{"key":"10.1016\/j.bioorg.2025.108759_bb0110","doi-asserted-by":"crossref","first-page":"1784","DOI":"10.1002\/(SICI)1521-3773(19990614)38:12<1784::AID-ANIE1784>3.0.CO;2-Q","article-title":"Characterization of ligand binding by saturation transfer difference NMR spectroscopy","volume":"38","author":"Mayer","year":"1999","journal-title":"Angew. Chem. Int. Ed."},{"key":"10.1016\/j.bioorg.2025.108759_bb0115","doi-asserted-by":"crossref","DOI":"10.1093\/femsml\/uqac015","article-title":"Cryptococcus neoformans releases proteins during intracellular residence that affect the outcome of the fungal-macrophage interaction","volume":"3","author":"Jung","year":"2022","journal-title":"microLife"},{"key":"10.1016\/j.bioorg.2025.108759_bb0120","doi-asserted-by":"crossref","first-page":"4533","DOI":"10.1002\/anie.200800327","article-title":"Water-based ligand screening for paramagnetic Metalloproteins","volume":"47","author":"Bertini","year":"2008","journal-title":"Angew. Chem. Int. Ed."},{"key":"10.1016\/j.bioorg.2025.108759_bb0125","doi-asserted-by":"crossref","DOI":"10.1038\/s41467-022-29406-1","article-title":"Paramagnetic relaxation enhancement NMR as a tool to probe guest binding and exchange in metallohosts","volume":"13","author":"Swartjes","year":"2022","journal-title":"Nat. Commun."},{"key":"10.1016\/j.bioorg.2025.108759_bb0130","doi-asserted-by":"crossref","first-page":"365","DOI":"10.1016\/0927-7757(93)80486-X","article-title":"Electron paramagnetic resonance spectrum of crystalline jack bean urease","volume":"72","author":"Olech","year":"1993","journal-title":"Colloids Surf. A Physicochem. Eng. Asp."},{"key":"10.1016\/j.bioorg.2025.108759_bb0135","doi-asserted-by":"crossref","first-page":"867","DOI":"10.1021\/jm901537q","article-title":"Using NMR solvent water relaxation to investigate Metalloenzyme-ligand binding interactions","volume":"53","author":"Leung","year":"2010","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bioorg.2025.108759_bb0140","doi-asserted-by":"crossref","first-page":"2218","DOI":"10.1021\/acs.jpclett.8b00350","article-title":"Measurement of kinetics and active site distances in Metalloenzymes using paramagnetic NMR with 13C hyperpolarization","volume":"9","author":"Liu","year":"2018","journal-title":"J. Phys. Chem. Lett."}],"container-title":["Bioorganic Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S004520682500639X?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S004520682500639X?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,4,23]],"date-time":"2026-04-23T05:04:11Z","timestamp":1776920651000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S004520682500639X"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,8]]},"references-count":28,"alternative-id":["S004520682500639X"],"URL":"https:\/\/doi.org\/10.1016\/j.bioorg.2025.108759","relation":{},"ISSN":["0045-2068"],"issn-type":[{"value":"0045-2068","type":"print"}],"subject":[],"published":{"date-parts":[[2025,8]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Inhibitory activity of amino acid derivatives against native Cryptococcus neoformans urease and ligand-enzyme binding profile by nuclear Paramagnetic Relaxation Enhancement and Saturation Transfer Difference NMR","name":"articletitle","label":"Article Title"},{"value":"Bioorganic Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bioorg.2025.108759","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2025 Elsevier Inc. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"108759"}}