{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,25]],"date-time":"2025-10-25T12:38:21Z","timestamp":1761395901257,"version":"3.40.5"},"reference-count":24,"publisher":"Public Library of Science (PLoS)","issue":"12","license":[{"start":{"date-parts":[[2020,12,2]],"date-time":"2020-12-02T00:00:00Z","timestamp":1606867200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["www.plosone.org"],"crossmark-restriction":false},"short-container-title":["PLoS ONE"],"abstract":"<jats:p><jats:italic>Fonsecaea pedrosoi<\/jats:italic> is one of the main agents of chromoblastomycosis, a chronic subcutaneous mycosis. Itraconazole (ITC) is the most used antifungal in its treatment, however, <jats:italic>in vitro<\/jats:italic> antifungal susceptibility tests are important to define the best therapy. These tests are standardized by the Clinical and Laboratory Standards Institute (CLSI), but these protocols have limitations such as the high complexity, cost and time to conduct. An alternative to <jats:italic>in vitro<\/jats:italic> susceptibility test, which overcomes these limitations, is FTIR. This study determined the minimum inhibitory concentration (MIC) of itraconazole for <jats:italic>F<\/jats:italic>. <jats:italic>pedrosoi<\/jats:italic>, using FTIR and chemometrics. The susceptibility to ITC of 36 strains of <jats:italic>F<\/jats:italic>. <jats:italic>pedrosoi<\/jats:italic> was determined according to CLSI and with the addition of tricyclazole (TCZ), to inhibit 1,8-dihydroxynaphthalene (DHN)-melanin biosynthesis. Strains were grown in Sabouraud agar and prepared for Attenuated Total Reflection (ATR)\/FTIR. Partial least squares (PLS) regression was performed using leave-one-out cross-validation (by steps of quintuplicates), then tested on an external validation set. A coefficient of determination (R\u00b2) higher than 0.99 was obtained for both the MIC-ITC and MIC-ITC+TCZ ATR\/PLS models, confirming a high correlation of the reference values with the ones predicted using the FTIR spectra. This is the first study to propose the use of FTIR and chemometric analyses according to the M38-A2 CLSI protocol to predict ITC MICs of <jats:italic>F<\/jats:italic>. <jats:italic>pedrosoi<\/jats:italic>. Considering the limitations of the conventional methods to test <jats:italic>in vitro<\/jats:italic> susceptibility, this is a promising methodology to be used for other microorganisms and drugs.<\/jats:p>","DOI":"10.1371\/journal.pone.0243231","type":"journal-article","created":{"date-parts":[[2020,12,2]],"date-time":"2020-12-02T19:32:33Z","timestamp":1606937553000},"page":"e0243231","update-policy":"https:\/\/doi.org\/10.1371\/journal.pone.corrections_policy","source":"Crossref","is-referenced-by-count":3,"title":["Prediction of itraconazole minimum inhibitory concentration for Fonsecaea pedrosoi using Fourier Transform Infrared Spectroscopy (FTIR) and chemometrics"],"prefix":"10.1371","volume":"15","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4596-1724","authenticated-orcid":true,"given":"Alessandra","family":"Koehler","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8052-5354","authenticated-orcid":true,"given":"Valeriano Antonio","family":"Corbellini","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Daiane","family":"Heidrich","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Maria 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diagnosis","volume":"2","author":"G Bellisola","year":"2012","journal-title":"Am J Cancer Res"},{"key":"pone.0243231.ref008","first-page":"713","article-title":"The use of infrared spectroscopy and artificial neural networks for detection of uropathogenic Escherichia coli strains\u2019 susceptibility to cephalothin","volume":"60","author":"\u0141 Lechowicz","year":"2013","journal-title":"Acta Biochim Pol"},{"key":"pone.0243231.ref009","doi-asserted-by":"crossref","first-page":"2136","DOI":"10.1039\/C7AN00192D","article-title":"Detection of antibiotic resistant: Escherichia coli bacteria using infrared microscopy and advanced multivariate analysis","volume":"142","author":"A Salman","year":"2017","journal-title":"Analyst"},{"key":"pone.0243231.ref010","doi-asserted-by":"crossref","first-page":"8782","DOI":"10.1021\/acs.analchem.7b01025","article-title":"Using infrared spectroscopy and multivariate analysis to detect antibiotics\u2019 resistant Escherichia coli bacteria","volume":"89","author":"U Sharaha","year":"2017","journal-title":"Anal Chem"},{"key":"pone.0243231.ref011","doi-asserted-by":"crossref","first-page":"e201800478","DOI":"10.1002\/jbio.201800478","article-title":"Fast and reliable determination of Escherichia coli susceptibility to antibiotics: Infrared microscopy in tandem with machine learning algorithms","volume":"12","author":"U Sharaha","year":"2019","journal-title":"J Biophotonics"},{"key":"pone.0243231.ref012","doi-asserted-by":"crossref","first-page":"116","DOI":"10.1111\/myc.12111","article-title":"In vitro susceptibility of chromoblastomycosis agents to five antifungal drugs and to the combination of terbinafine and amphotericin B","volume":"57","author":"TC Daboit","year":"2014","journal-title":"Mycoses"},{"key":"pone.0243231.ref013","doi-asserted-by":"crossref","first-page":"e00635","DOI":"10.1128\/AAC.00635-17","article-title":"In vitro activities of luliconazole, lanoconazole, and efinaconazole compared with those of five antifungal drugs against melanized fungi and relatives","volume":"61","author":"GR Shookohi","year":"2017","journal-title":"Antimicrob Agents Chemother"},{"key":"pone.0243231.ref014","unstructured":"ASTM. Annual Book of ASTM Standards, Standards Practices for Infrared, Multivariate, Quantitative Analysis, ASTM International E1655-05. West Conshohocken, Pennsylvania; 2005."},{"key":"pone.0243231.ref015","first-page":"102","volume-title":"Encyclopedia of Analytical Chemistry","author":"D. Naumann","year":"2000"},{"key":"pone.0243231.ref016","doi-asserted-by":"crossref","first-page":"61","DOI":"10.1134\/S0006297907010075","article-title":"Structural differences between Fusarium strains investigated by FT-IR spectroscopy","volume":"72","author":"M Nie","year":"2007","journal-title":"Biochemistry (Moscow)"},{"key":"pone.0243231.ref017","doi-asserted-by":"crossref","first-page":"261","DOI":"10.1155\/2010\/723489","article-title":"FTIR spectroscopy for detection and identification of fungal phytopathogenes","volume":"24","author":"A Salman","year":"2010","journal-title":"Spectroscopy"},{"key":"pone.0243231.ref018","doi-asserted-by":"crossref","first-page":"017002","DOI":"10.1117\/1.JBO.17.1.017002","article-title":"Identification of fungal phytopathogens using Fourier transform infrared-attenuated total reflection spectroscopy and advanced statistical methods","volume":"17","author":"A Salman","year":"2012","journal-title":"J Biomed Opt"},{"key":"pone.0243231.ref019","doi-asserted-by":"crossref","first-page":"32","DOI":"10.1016\/j.ijfoodmicro.2013.10.011","article-title":"Differentiation and identification of filamentous fungi by high-throughput FTIR spectroscopic analysis of mycelia","volume":"169","author":"A Lecellier","year":"2014","journal-title":"Int J Food Microbiol"},{"key":"pone.0243231.ref020","doi-asserted-by":"crossref","first-page":"512","DOI":"10.1002\/jbio.201000014","article-title":"A high-throughput microcultivation protocol for FTIR spectroscopic characterization and identification of fungi","volume":"3","author":"V Shapaval","year":"2010","journal-title":"J. Biophotonics"},{"key":"pone.0243231.ref021","doi-asserted-by":"crossref","first-page":"7111","DOI":"10.1007\/s00253-013-5087-3","article-title":"Identification of microorganisms by FTIR spectroscopy: Perspectives and limitations of the method","volume":"97","author":"M Wenning","year":"2013","journal-title":"Appl Microbiol Biotechnol"},{"key":"pone.0243231.ref022","doi-asserted-by":"crossref","first-page":"240","DOI":"10.1006\/bbrc.1997.6263","article-title":"ATR-FTIR spectroscopic investigation of imipenem-susceptible and -resistant Pseudomonas aeruginosa isogenic strains","volume":"232","author":"GD Sockalingum","year":"1997","journal-title":"Biochem Biophys Res Commun"},{"key":"pone.0243231.ref023","doi-asserted-by":"crossref","first-page":"49","DOI":"10.3390\/diagnostics9020049","article-title":"Current and emerging methods of antibiotic susceptibility testing","volume":"9","author":"ZA Khan","year":"2019","journal-title":"Diagnostics"},{"key":"pone.0243231.ref024","volume-title":"M38 \u2013Reference method for broth dilution antifungal susceptibility testing of filamentous fungi","author":"CLSI","year":"2017","edition":"3"}],"container-title":["PLOS ONE"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/dx.plos.org\/10.1371\/journal.pone.0243231","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2020,12,2]],"date-time":"2020-12-02T19:33:02Z","timestamp":1606937582000},"score":1,"resource":{"primary":{"URL":"https:\/\/dx.plos.org\/10.1371\/journal.pone.0243231"}},"subtitle":[],"editor":[{"given":"Mohammad","family":"Shahid","sequence":"first","affiliation":[],"role":[{"role":"editor","vocabulary":"crossref"}]}],"short-title":[],"issued":{"date-parts":[[2020,12,2]]},"references-count":24,"journal-issue":{"issue":"12","published-online":{"date-parts":[[2020,12,2]]}},"URL":"https:\/\/doi.org\/10.1371\/journal.pone.0243231","relation":{},"ISSN":["1932-6203"],"issn-type":[{"type":"electronic","value":"1932-6203"}],"subject":[],"published":{"date-parts":[[2020,12,2]]}}}