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Med. Mycol","volume":"39","author":"A Restrepo","year":"2001"},{"key":"ref2","doi-asserted-by":"crossref","first-page":"513","DOI":"10.1590\/S0074-02762009000300019","article-title":"Mortality due to systemic mycoses as a primary cause of death or in association with AIDS in Brazil: a review from 1996 to 2006. Mem. Inst","volume":"104","author":"M Prado","year":"2009","journal-title":"Oswaldo Cruz"},{"key":"ref3","first-page":"209","article-title":"An overview of the immunopathology of human paracoccidioidomycosis. Mycopathologia","volume":"165","author":"G Bernard","year":"2008"},{"key":"ref4","first-page":"385","article-title":"Pharmacological management of paracoccidioidomycosis. Expert Opin. Pharmacother","volume":"6","author":"MA Yasuda","year":"2005"},{"key":"ref5","first-page":"551","article-title":"Paracoccidioidomicosis and multidrug-resistant tuberculosis (TBC-MDR) in patient coinfected with HIV and hepatitis C. Rev. Chilena Infectol","volume":"27","author":"RJ Nunura","year":"2010"},{"key":"ref6","first-page":"904","article-title":"Serological diagnosis of paracoccidioidomycosis in HIV-coinfected patients. Mem. Inst. Oswaldo Cruz","volume":"105","author":"F Bellissimo-Rodrigues","year":"2010"},{"key":"ref7","first-page":"1321","article-title":"Current advances in antifungal targets and drug development. Curr. Med. Chem","volume":"13","author":"S Sundryal","year":"2006"},{"key":"ref8","first-page":"1","article-title":"Therapeutic DNA Vaccine Encoding Peptide P10 against Experimental Paracoccidioidomycosis. PLoS Negl. Trop. Dis","volume":"6","author":"GMG Rittner","year":"2012"},{"key":"ref9","first-page":"205","article-title":"Antifungal activity of altenusin isolated from the endophytic fungus <italic>Alternaria sp<\/italic>. against the pathogenic fungus <italic>Paracoccidioides brasiliensis<\/italic>. Rev. Iberoam. Micol","volume":"29","author":"S Johann","year":"2012"},{"key":"ref10","first-page":"62","article-title":"Response of <italic>Paracoccidioides brasiliensis Pb<\/italic>01 to stressor agents and cell wall osmoregulators. Fung. Biol","volume":"115","author":"PK Tomazett","year":"2011"},{"key":"ref11","first-page":"809","article-title":"1,3-\u03b2-D-Glucan synthase of <italic>Paracoccidioides brasiliensis<\/italic>: recombinant protein, expression and cytolocalization in the yeast and mycelium phases. Fung. Biol","volume":"114","author":"PK Tomazett","year":"2010"},{"key":"ref12","first-page":"272","article-title":"The malate synthase of <italic>Paracoccidioides brasiliensis<\/italic> is a linked surface protein that behaves as an anchorless adhesion. BMC Microbiol","volume":"24","author":"BRS Neto","year":"2009"},{"key":"ref13","first-page":"734","article-title":"The malate synthase of <italic>Paracoccidioides brasiliensis Pb<\/italic>01 is required in the glyoxylate cycle and in the allantoin degradation pathway. Med. Mycol","volume":"47","author":"PF Zambuzzi-Carvalho","year":"2009"},{"key":"ref14","first-page":"2318","article-title":"Phosphorylation is the major mechanism regulating isocitrate lyase activity in <italic>Paracoccidioides brasiliensis<\/italic> yeast cells. FEBS J","volume":"278","author":"AH Cruz","year":"2011"},{"key":"ref15","first-page":"1163","article-title":"Cloning, mechanistic and functional analysis of a fungal sterol C24-methyltransferase implicated in brassicasterol biosynthesis","volume":"1801","author":"M Pereira","year":"2010"},{"key":"ref16","first-page":"1051","article-title":"5-Hydroxyindole-type alkaloids, as <italic>Candida albicans<\/italic> isocitrate lyase inhibitors, from the tropical sponge Hyrtios sp. Bioorg Med Chem Lett","volume":"19","author":"HS Lee","year":"2009"},{"key":"ref17","first-page":"5377","article-title":"Inhibition of <italic>Candida albicans<\/italic> isocitrate lyase activity by sesterterpene sulfates from the tropical sponge <italic>Dysidea sp<\/italic>. Bioorg Med Chem Lett","volume":"18","author":"D Lee","year":"2008"},{"key":"ref18","first-page":"511","article-title":"Fungal adaptation to the mammalian host: it is a new world, after all. Curr Opin Microbiol","volume":"6","author":"NM Cooney","year":"2008"},{"key":"ref19","first-page":"6923","article-title":"Inhibition of the pathogenicity of <italic>Magnaporthe grisea<\/italic> by bromophenols, isocitrate lyase inhibitors, from the red alga <italic>Odonthalia corymbifera<\/italic>. J Agric Food Chem","volume":"55","author":"HS Lee","year":"2007"},{"key":"ref20","first-page":"961","article-title":"Niche-specific regulation of central metabolic pathways in a fungal pathogen. Cell Microbiol","volume":"8","author":"CJ Barelle","year":"2006"},{"key":"ref21","first-page":"1420","article-title":"<italic>Cryptococcus neoformans<\/italic> gene expression during murine macrophage infection. Eukaryot Cell","volume":"8","author":"W Fan","year":"2005"},{"key":"ref22","first-page":"1076","article-title":"Transcriptional response of <italic>Candida albicans<\/italic> upon internalization by macrophages. Eukaryot Cell","volume":"5","author":"MC Lorenz","year":"2004"},{"key":"ref23","first-page":"657","article-title":"Life and death in a macrophage: role of the glyoxylate cycle in virulence. Eukaryot Cell","volume":"1(5)","author":"MC Lorenz","year":"2002","journal-title":"2002 Oct"},{"key":"ref24","first-page":"83","article-title":"The glyoxylate cycle is required for fungal virulence. Nature","volume":"412","author":"MC Lorenz","year":"2001"},{"key":"ref25","first-page":"1601","article-title":"The glyoxylate cycle is required for temporal regulation of virulence by the plant pathogenic fungus <italic>Magnaporthe grisea<\/italic>. Mol Microbiol","volume":"6","author":"ZY Wang","year":"2003"},{"key":"ref26","first-page":"1112","article-title":"Chromosomal locus that affects pathogenicity of <italic>Rhodococcus fascians<\/italic>. J Bacteriol","volume":"4","author":"D Vereecke","year":"2002"},{"key":"ref27","first-page":"719","article-title":"Isocitrate lyase is essential for pathogenicity of the fungus <italic>Leptosphaeria maculans<\/italic> to canola (Brassica napus). Eukaryot Cell","volume":"5","author":"A Idnurm","year":"2002"},{"key":"ref28","first-page":"499","article-title":"Development of Saccharomyces cerevisiae as a model pathogen. A system for the genetic identification of gene products required for survival in the mammalian host environment. Genetics","volume":"159","author":"AL Goldstein","year":"2001"},{"key":"ref29","first-page":"735","article-title":"Persistence of <italic>Mycobacterium tuberculosis<\/italic> in macrophages and mice requires the glyoxylate shunt enzyme isocitrate lyase. Nature","volume":"6797","author":"JD McKinney","year":"2000"},{"key":"ref30","first-page":"347","article-title":"Response to oxidative stress in <italic>Paracoccidioides<\/italic> yeast cells as determined by proteomic analysis. Microbes Infect","volume":"5","author":"D de Arruda Grossklaus","year":"2013"},{"key":"ref31","first-page":"572","article-title":"A quantitative view of the morphological phases of <italic>Paracoccidioides brasiliensis<\/italic> using proteomics. J Proteomics","volume":"2","author":"TC Rezende","year":"2011"},{"key":"ref32","first-page":"125","article-title":"Upregulation of glyoxylate cycle genes upon <italic>Paracoccidioides brasiliensis<\/italic> internalization by murine macrophages and in vitro nutritional stress condition. Med Mycol","volume":"46","author":"LS Derengowski","year":"2008"},{"key":"ref33","first-page":"29","article-title":"The transcriptome analysis of early morphogenesis in <italic>Paracoccidioides brasiliensis<\/italic> mycelium reveals novel and induced genes potentially associated to the dimorphic process. BMC Microbiol","volume":"7","author":"KP Bastos","year":"2007"},{"key":"ref34","first-page":"4194","article-title":"Transcriptome profiling of <italic>Paracoccidioides brasiliensis<\/italic> yeast-phase cells recovered from infected mice brings new insights into fungal response upon host interaction. Microbyol","volume":"153","author":"M Costa","year":"2007"},{"key":"ref35","first-page":"959","article-title":"Bahamaolides A and B, antifungal polyene polyol macrolides from the marine actinomycete <italic>Streptomyces<\/italic> sp. J. Nat. Prod","volume":"75","author":"DG Kim","year":"2012"},{"key":"ref36","first-page":"5149","article-title":"Synthesis of various 3-nitropropionamides as <italic>Mycobacterium tuberculosis<\/italic> isocitrate lyase inhibitor. Bio. Med. Chem. Lett","volume":"21","author":"D Sriram","year":"2011"},{"key":"ref37","doi-asserted-by":"crossref","unstructured":"Felipe MSS, Andrade RV, Arraes FBM, Nicola AM, Maranh\u00e3o AQ, <etal>et al<\/etal>.. (2005) Transcriptional profiles of the human pathogenic fungus <italic>Paracoccidioides brasiliensis<\/italic> in mycelium and yeast cells. J. Biol. Chem. 24706\u201324714. doi:10.1074\/jbc.M500625200.","DOI":"10.1074\/jbc.M500625200"},{"key":"ref38","first-page":"756","article-title":"Chemical composition and antifungal activity of the essential oil of <italic>Hyptis ovalifolia<\/italic> Benth. (Lamiaceae). J. Braz. Chem. Soc","volume":"5","author":"CMA Oliveira","year":"2004"},{"key":"ref39","first-page":"136","article-title":"Itaconate, an isocitrate lyase-directed inhibitor in Pseudomonas indigofera. J Bacteriol","volume":"1","author":"BA McFadden","year":"1977"},{"key":"ref40","first-page":"43","article-title":"Inhibition of infection of the rice blast fungus by halisulfate 1, an isocitrate lyase inhibitor. FEMS Microbiol Lett","volume":"1","author":"DS Shin","year":"2007"},{"key":"ref41","first-page":"225","article-title":"<italic>Paracoccidioides brasiliensis<\/italic> and paracoccidioidomycosis: molecular approaches to morphogenesis, diagnosis, epidemiology, taxonomy and genetics. Med. Mycol","volume":"40","author":"G San-Blas","year":"2002"},{"key":"ref42","first-page":"310","article-title":"Distinct chitinases are expressed during various growth phases of the human pathogen <italic>Paracoccidioides brasiliensis.<\/italic> Mem. Inst. Oswaldo Cruz","volume":"107","author":"LAP Santana","year":"2012"},{"key":"ref43","doi-asserted-by":"crossref","first-page":"5157","DOI":"10.1128\/jb.179.16.5157-5164.1997","article-title":"A novel alternate anaplerotic pathway to the glyoxylate cycle in streptomycetes","volume":"179","author":"L Han","year":"1997","journal-title":"J. Bacteriol"},{"key":"ref44","first-page":"5669","article-title":"Post germinative growth and lipid catabolism in oilseeds lacking the glyoxylate cycle. Proc. Natl. Acad. Sci","volume":"97","author":"PJ Eastmond","year":"2000"},{"key":"ref45","doi-asserted-by":"crossref","first-page":"988","DOI":"10.1038\/179988a0","article-title":"Synthesis of cell constituents from C2-units by a modified tricarboxylic acid cycle","volume":"179","author":"HL Kornberg","year":"1957","journal-title":"Nature"},{"key":"ref46","first-page":"403","article-title":"Basic local alignment search tool. J. Mol. Biol","volume":"215","author":"SF Altschul","year":"1990"},{"key":"ref47","first-page":"511","article-title":"Verification of protein structures: patterns of nonbonded atomic interactions. Protein Sci","volume":"9","author":"C Colovos","year":"1993"},{"key":"ref48","first-page":"3267","article-title":"Sakkiah S, Thangapandian S, Woo-Lee K (20012) Pharmacophore modeling, molecular docking, and molecular dynamics simulation approaches for identifying new lead compounds for inhibiting aldose reductase 2. J. Mol. Model","volume":"18"},{"key":"ref49","first-page":"800","article-title":"Development of resistance against blackleg disease in <italic>Brassica oleracea var. botrytis<\/italic> through <italic>in silico<\/italic> methods. Fungal Genetics and Biology","volume":"47","author":"M Srivastava","year":"2010"},{"key":"ref50","first-page":"469","article-title":"Ligand efficiency indices for effective drug discovery. Expert Opin. Drug Discov","volume":"2","author":"C Abad-Zapatero","year":"2007"},{"key":"ref51","doi-asserted-by":"crossref","first-page":"e11955","DOI":"10.1371\/journal.pone.0011955","article-title":"Virtual Screening for HIV Protease Inhibitors: A Comparison of AutoDock 4 and Vina","volume":"5","author":"MW Chang","year":"2010","journal-title":"PloSOne"},{"key":"ref52","first-page":"448","article-title":"Synthesis and absolute stereochemistry of the bicyclic goniofupyranonecore. J. Mol. Struc","volume":"1035","author":"RJ Alves","year":"2013"},{"key":"ref53","first-page":"161","article-title":"Rea\u00e7\u00e3o intrad\u00e9rmica com polissacar\u00eddeo do <italic>Paracaccidioides brasiliensis,<\/italic> na blastomicose sul-americana. Rev. Inst. Med. Trop","volume":"4","author":"C Fava-Netto","year":"1961"},{"key":"ref54","first-page":"279","article-title":"Growth of <italic>Paracoccidioides brasiliensis<\/italic> yeast phase in a chemically defined culture medium. J. Clin. Microbiol","volume":"12","author":"A Restrepo","year":"1980"},{"key":"ref55","first-page":"M27","article-title":"Reference Method for Broth Dilution Antifungal SusceptibilityTesting of Yeasts. Approved Standard","volume":"2","year":"2002"},{"key":"ref56","first-page":"248","article-title":"A rapid and sensitive method for the quantitation of microgram quantities of protein utilizing the principle of protein-dye binding. Anal Biochem","volume":"7","author":"MM Bradford","year":"1976"},{"key":"ref57","first-page":"3375","article-title":"Tools for comparative protein structure modeling and analysis. Nucleic Acids Res","volume":"31","author":"N Eswar","year":"2003"},{"key":"ref58","unstructured":"NIH MBI Laboratory Servers. Available: <ext-link xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" ext-link-type=\"uri\" xlink:href=\"http:\/\/nihserver.mbi.ucla.edu\" xlink:type=\"simple\">http:\/\/nihserver.mbi.ucla.edu<\/ext-link>. Accessed 2014 Mar 26."},{"key":"ref59","doi-asserted-by":"crossref","first-page":"437","DOI":"10.1002\/prot.10286","article-title":"Structure validation by Calpha geometry: phi, psi and Cbeta deviation","volume":"50","author":"SC Lovell","year":"2002","journal-title":"Proteins: Structure, Function & Genetics"},{"key":"ref60","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1038\/356083a0","article-title":"Assessment of protein models with three-dimensional profiles","volume":"356","author":"R Luthy","year":"1992","journal-title":"Nature"},{"key":"ref61","doi-asserted-by":"crossref","first-page":"2577","DOI":"10.1002\/bip.360221211","article-title":"Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical feature","volume":"22","author":"W Kabsch","year":"1983","journal-title":"Biopolymers"},{"key":"ref62","unstructured":"The Helix Systems group Available: <ext-link xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" ext-link-type=\"uri\" xlink:href=\"http:\/\/helix.nih.gov\" xlink:type=\"simple\">http:\/\/helix.nih.gov<\/ext-link>.Accessed 2014 Mar 26."},{"key":"ref63","first-page":"64","article-title":"Ligand-based virtual screening and molecular docking studies to identify the critical chemical features of potent cathepsin D inhibitors. Chem. Biol. Drug Des","volume":"80","author":"S Sakkiah","year":"2012"},{"key":"ref64","unstructured":"GROMACS, v4.0, Department of Biophysical Chemistry, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands. Available: <ext-link xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" ext-link-type=\"uri\" xlink:href=\"http:\/\/www.gromacs.org\/\" xlink:type=\"simple\">http:\/\/www.gromacs.org\/<\/ext-link>. Accessed 2014 Mar 26."},{"key":"ref65","first-page":"e1000528","article-title":"High-Performance Drug Discovery: Computational Screening by Combining Docking and Molecular Dynamics Simulations. PLoS Comput. Biol","volume":"5","author":"N Okimoto","year":"2009"},{"key":"ref66","first-page":"10089","article-title":"Particle mesh Ewald: An N-log (N) method for Ewald sums in large systems. J. Chem. Phys","volume":"98","author":"T Darden","year":"1993"},{"key":"ref67","first-page":"236","article-title":"Peptide Folding: When Simulation Meets Experiment. Angew. Chem. Int","volume":"38","author":"X Daura","year":"1999"},{"key":"ref68","first-page":"273","article-title":"Size-independent comparison of protein three- dimensional structures. Proteins Struct. Funct. Genet","volume":"22","author":"VN Maiorov","year":"1995"},{"key":"ref69","first-page":"319","article-title":"Exact and Efficient Analytical Calculation of the Accessible Surface Areas and Their Gradients for Macromolecules. J. Comp. Chem","volume":"19","author":"R Fraczkiewicz","year":"1998"},{"key":"ref70","first-page":"1355","article-title":"PRODRG - a tool for high-throughput crystallography of protein-ligand complexes. Acta Crystallogr","volume":"60","author":"AW Sch\u00fcttelkopf","year":"2004"},{"key":"ref71","first-page":"2785","article-title":"Autodock4 and AutodockTools4: automated docking with selective receptor flexibility. J. Comput. Chem","volume":"16","author":"GM Morris","year":"2009"},{"key":"ref72","first-page":"245","article-title":"Efficient estimation of free energy differences with Monte Carlo data. J. Comp. Phys","volume":"22","author":"CH Bennett","year":"1976"},{"key":"ref73","unstructured":"Molecular Modeling at Virginia Tech Available: <ext-link xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" ext-link-type=\"uri\" xlink:href=\"http:\/\/www.bevanlab.biochem.vt.edu\" xlink:type=\"simple\">http:\/\/www.bevanlab.biochem.vt.edu<\/ext-link>.Accessed 2014 Mar 26."},{"key":"ref74","unstructured":"Enterprise-wide quality-control. Available: <ext-link xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" ext-link-type=\"uri\" xlink:href=\"http:\/\/www.statsoft.com\" xlink:type=\"simple\">www.statsoft.com<\/ext-link>. Accessed 2014 Jan 5."}],"container-title":["PLoS ONE"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/dx.plos.org\/10.1371\/journal.pone.0094832","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2020,5,9]],"date-time":"2020-05-09T07:27:37Z","timestamp":1589009257000},"score":1,"resource":{"primary":{"URL":"https:\/\/dx.plos.org\/10.1371\/journal.pone.0094832"}},"subtitle":[],"editor":[{"given":"Yanchang","family":"Wang","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"editor"}]}],"short-title":[],"issued":{"date-parts":[[2014,4,21]]},"references-count":74,"journal-issue":{"issue":"4","published-online":{"date-parts":[[2014,4,21]]}},"URL":"https:\/\/doi.org\/10.1371\/journal.pone.0094832","relation":{},"ISSN":["1932-6203"],"issn-type":[{"value":"1932-6203","type":"electronic"}],"subject":[],"published":{"date-parts":[[2014,4,21]]}}}