Inhibition of Paracoccidioides lutzii Pb01 Isocitrate Lyase by the Natural Compound Argentilactone and Its Semi-Synthetic Derivatives
Publication Date
April 21, 2014
Journal
PLOS ONE
Authors
Renata Silva Do Prado, Ricardo Justino Alves, Cecília Maria Alves De Oliveira, Lucília Kato, et al
Volume
9
Issue
4
Pages
e94832
DOI
https://dx.plos.org/10.1371/journal.pone.0094832
Publisher URL
http://journals.plos.org/plosone/article?id=10.1371%2Fjournal.pone.0094832
PubMed
http://www.ncbi.nlm.nih.gov/pubmed/24752170
PubMed Central
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994062
Europe PMC
http://europepmc.org/abstract/MED/24752170
Web of Science
000335227400018
Scopus
84899712392
Mendeley
http://www.mendeley.com/research/inhibition-paracoccidioides-lutzii-pb01-isocitrate-lyase-natural-compound-argentilactone-semisynthet
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Mendeley | Further Information

{"title"=>"Inhibition of Paracoccidioides lutzii Pb01 isocitrate lyase by the natural compound argentilactone and its semi-synthetic derivatives", "type"=>"journal", "authors"=>[{"first_name"=>"Renata Silva", "last_name"=>"Do Prado", "scopus_author_id"=>"35184975700"}, {"first_name"=>"Ricardo Justino", "last_name"=>"Alves", "scopus_author_id"=>"55539900100"}, {"first_name"=>"Cecília Maria Alves", "last_name"=>"De Oliveira", "scopus_author_id"=>"36730757300"}, {"first_name"=>"Lucília", "last_name"=>"Kato", "scopus_author_id"=>"8382105400"}, {"first_name"=>"Roosevelt Alves", "last_name"=>"Da Silva", "scopus_author_id"=>"55915659600"}, {"first_name"=>"Guilherme Oliveira", "last_name"=>"Quintino", "scopus_author_id"=>"55915654200"}, {"first_name"=>"Silvio Do Desterro", "last_name"=>"Cunha", "scopus_author_id"=>"7005941862"}, {"first_name"=>"Célia Maria De Almeida", "last_name"=>"Soares", "scopus_author_id"=>"56421461500"}, {"first_name"=>"Maristela", "last_name"=>"Pereira", "scopus_author_id"=>"55084503500"}], "year"=>2014, "source"=>"PLoS ONE", "identifiers"=>{"pui"=>"373006300", "sgr"=>"84899712392", "issn"=>"19326203", "pmid"=>"24752170", "scopus"=>"2-s2.0-84899712392", "doi"=>"10.1371/journal.pone.0094832", "isbn"=>"1932-6203 (Electronic)\\r1932-6203 (Linking)"}, "id"=>"87c78f3c-2267-312d-a3b4-9dfc0c5d6b38", "abstract"=>"The dimorphic fungus Paracoccidioides spp. is responsible for paracoccidioidomycosis, the most prevalent systemic mycosis in Latin America, causing serious public health problems. Adequate treatment of mycotic infections is difficult, since fungi are eukaryotic organisms with a structure and metabolism similar to those of eukaryotic hosts. In this way, specific fungus targets have become important to search of new antifungal compound. The role of the glyoxylate cycle and its enzymes in microbial virulence has been reported in many fungal pathogens, including Paracoccidioides spp. Here, we show the action of argentilactone and its semi-synthetic derivative reduced argentilactone on recombinant and native isocitrate lyase from Paracoccidioides lutzii Pb01 (PbICL) in the presence of different carbon sources, acetate and glucose. Additionally, argentilactone and its semi-synthetic derivative reduced argentilactone exhibited relevant inhibitory activity against P. lutzii Pb01 yeast cells and dose-dependently influenced the transition from the mycelium to yeast phase. The other oxygenated derivatives tested, epoxy argentilactone and diol argentilactone-, did not show inhibitory action on the fungus. The results were supported by in silico experiments.", "link"=>"http://www.mendeley.com/research/inhibition-paracoccidioides-lutzii-pb01-isocitrate-lyase-natural-compound-argentilactone-semisynthet", "reader_count"=>24, "reader_count_by_academic_status"=>{"Professor > Associate Professor"=>1, "Librarian"=>1, "Researcher"=>3, "Student > Doctoral Student"=>2, "Student > Ph. D. Student"=>1, "Student > Postgraduate"=>1, "Student > Master"=>8, "Other"=>1, "Student > Bachelor"=>4, "Lecturer > Senior Lecturer"=>1, "Professor"=>1}, "reader_count_by_user_role"=>{"Professor > Associate Professor"=>1, "Librarian"=>1, "Researcher"=>3, "Student > Doctoral Student"=>2, "Student > Ph. D. Student"=>1, "Student > Postgraduate"=>1, "Student > Master"=>8, "Other"=>1, "Student > Bachelor"=>4, "Lecturer > Senior Lecturer"=>1, "Professor"=>1}, "reader_count_by_subject_area"=>{"Biochemistry, Genetics and Molecular Biology"=>8, "Agricultural and Biological Sciences"=>8, "Medicine and Dentistry"=>3, "Veterinary Science and Veterinary Medicine"=>1, "Chemistry"=>1, "Social Sciences"=>1, "Immunology and Microbiology"=>2}, "reader_count_by_subdiscipline"=>{"Medicine and Dentistry"=>{"Medicine and Dentistry"=>3}, "Chemistry"=>{"Chemistry"=>1}, "Social Sciences"=>{"Social Sciences"=>1}, "Immunology and Microbiology"=>{"Immunology and Microbiology"=>2}, "Agricultural and Biological Sciences"=>{"Agricultural and Biological Sciences"=>8}, "Biochemistry, Genetics and Molecular Biology"=>{"Biochemistry, Genetics and Molecular Biology"=>8}, "Veterinary Science and Veterinary Medicine"=>{"Veterinary Science and Veterinary Medicine"=>1}}, "reader_count_by_country"=>{"Argentina"=>1, "Brazil"=>4}, "group_count"=>3}

Scopus | Further Information

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Figshare

  • {"files"=>["https://ndownloader.figshare.com/files/1554346"], "description"=>"<p>Ligplots of the compounds in binding pocket of PbICL. Pink circles indicate residues involved in hydrogen-bond polar or charged interactions; green circles indicate residues involved in van der Waals interactions. Dashed lines represent stronger interactions. The PbICL residues that interact with the compounds are shown, and the dashed lines represent stronger interactions. Oxygen is colored red. The structures of the compounds shown refer to the lowest Fscore obtained in mode 1 from the docking simulations with AutoDock Vina. The grid was defined considering only the region of the PbICL site using sizex = sizey = sizez = 20 Å, centerx = 21.37 Å, centerx = 1.14 Å, and centerz = 10.83 Å.</p>", "links"=>[], "tags"=>["Biochemistry", "enzymology", "enzymes", "Plant biochemistry", "phytochemicals", "proteins", "Recombinant proteins", "biotechnology", "Computational biology", "microbiology", "Medical microbiology", "Microbial pathogens", "Microbial control", "molecular biology", "Macromolecular structure analysis", "Mycology", "organisms", "fungi", "Pathology and laboratory medicine", "pathogenesis", "pharmacology", "Drug research and development", "drug discovery", "chemistry", "phytochemistry", "pbicl", "three-dimensional", "structures", "isocitrate", "binding", "interactions", "conformation"], "article_id"=>1074174, "categories"=>["Biological Sciences"], "users"=>["Renata Silva do Prado", "Ricardo Justino Alves", "Cecília Maria Alves de Oliveira", "Lucília Kato", "Roosevelt Alves da Silva", "Guilherme Oliveira Quintino", "Silvio do Desterro Cunha", "Célia Maria de Almeida Soares", "Maristela Pereira"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0094832.g006", "stats"=>{"downloads"=>1, "page_views"=>1, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Molecular_surface_representation_of_PbICL_and_the_three_dimensional_structures_of_A_1_B_3_C_4_and_D_isocitrate_native_ligand_in_the_PbICL_binding_pocket_and_key_interactions_of_PbICL_with_the_best_conformation_mode_1_of_each_compound_orange_/1074174", "title"=>"Molecular surface representation of PbICL and the three-dimensional structures of A) 1, B) 3, C) 4, and D) isocitrate (native ligand) in the PbICL binding pocket and key interactions of PbICL with the best conformation (mode 1) of each compound (orange).", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2014-04-21 10:16:47"}
  • {"files"=>["https://ndownloader.figshare.com/files/1554286"], "description"=>"<p>Samples containing 10<sup>5</sup>, 10<sup>4</sup>, and 10<sup>3 </sup><i>Paracoccidioides Pb</i>01 yeast cells were spotted onto MMcM agar medium containing glucose or acetate and supplemented with argentilactone, reduced argentilactone, epoxy argentilactone, and diol argentilactone at different concentrations for seven days. <b>A</b>) argentilactone; <b>B</b>) reduced argentilactone; <b>C</b>) epoxy argentilactone; <b>D</b>) diol argentilactone. The growth of 10<sup>5 </sup><i>P. lutzii Pb</i>01 yeast cells was observed by spectrophotometer (520 nm) in medium containing glucose (<b>E</b>) or acetate (<b>F</b>). *p<0,05.</p>", "links"=>[], "tags"=>["Biochemistry", "enzymology", "enzymes", "Plant biochemistry", "phytochemicals", "proteins", "Recombinant proteins", "biotechnology", "Computational biology", "microbiology", "Medical microbiology", "Microbial pathogens", "Microbial control", "molecular biology", "Macromolecular structure analysis", "Mycology", "organisms", "fungi", "Pathology and laboratory medicine", "pathogenesis", "pharmacology", "Drug research and development", "drug discovery", "chemistry", "phytochemistry", "argentilactone", "derivatives", "reduced", "epoxy", "diol", "lutzii", "yeast", "cells"], "article_id"=>1074116, "categories"=>["Biological Sciences"], "users"=>["Renata Silva do Prado", "Ricardo Justino Alves", "Cecília Maria Alves de Oliveira", "Lucília Kato", "Roosevelt Alves da Silva", "Guilherme Oliveira Quintino", "Silvio do Desterro Cunha", "Célia Maria de Almeida Soares", "Maristela Pereira"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0094832.g002", "stats"=>{"downloads"=>2, "page_views"=>6, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Effect_of_argentilactone_and_its_derivatives_reduced_argentilactone_epoxy_argentilactone_and_diol_argentilactone_on_P_lutzii_Pb_01_yeast_cells_growth_/1074116", "title"=>"Effect of argentilactone and its derivatives reduced argentilactone, epoxy argentilactone, and diol argentilactone on <i>P. lutzii Pb</i>01 yeast cells growth.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2014-04-21 10:16:47"}
  • {"files"=>["https://ndownloader.figshare.com/files/1554352"], "description"=>"<p><sup>1</sup>Modified Vina Score (Eq. 01). The values in the table represent the states with the highest frequency of total of 1000 independent simulations.</p>", "links"=>[], "tags"=>["Biochemistry", "enzymology", "enzymes", "Plant biochemistry", "phytochemicals", "proteins", "Recombinant proteins", "biotechnology", "Computational biology", "microbiology", "Medical microbiology", "Microbial pathogens", "Microbial control", "molecular biology", "Macromolecular structure analysis", "Mycology", "organisms", "fungi", "Pathology and laboratory medicine", "pathogenesis", "pharmacology", "Drug research and development", "drug discovery", "chemistry", "phytochemistry", "residues", "compounds", "binding"], "article_id"=>1074179, "categories"=>["Biological Sciences"], "users"=>["Renata Silva do Prado", "Ricardo Justino Alves", "Cecília Maria Alves de Oliveira", "Lucília Kato", "Roosevelt Alves da Silva", "Guilherme Oliveira Quintino", "Silvio do Desterro Cunha", "Célia Maria de Almeida Soares", "Maristela Pereira"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0094832.t003", "stats"=>{"downloads"=>1, "page_views"=>2, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Scores_and_key_residues_of_the_compounds_obtained_in_binding_pocket_of_Pb_ICL_/1074179", "title"=>"Scores and key residues of the compounds obtained in binding pocket of <i>Pb</i>ICL.", "pos_in_sequence"=>0, "defined_type"=>3, "published_date"=>"2014-04-21 10:16:47"}
  • {"files"=>["https://ndownloader.figshare.com/files/1554351"], "description"=>"#<p><i>Pb</i>ICL activity in the crude protein extract of <i>Paracoccidioides lutzii Pb</i>01 yeast cells;</p>.<p>U = 1 µmol of glyoxylate-phenylhydrazone per minute;</p><p><b>*</b><i>p</i><0.05;</p><p><b>**</b>N.I. = No inhibition found.</p>", "links"=>[], "tags"=>["Biochemistry", "enzymology", "enzymes", "Plant biochemistry", "phytochemicals", "proteins", "Recombinant proteins", "biotechnology", "Computational biology", "microbiology", "Medical microbiology", "Microbial pathogens", "Microbial control", "molecular biology", "Macromolecular structure analysis", "Mycology", "organisms", "fungi", "Pathology and laboratory medicine", "pathogenesis", "pharmacology", "Drug research and development", "drug discovery", "chemistry", "phytochemistry", "compounds"], "article_id"=>1074178, "categories"=>["Biological Sciences"], "users"=>["Renata Silva do Prado", "Ricardo Justino Alves", "Cecília Maria Alves de Oliveira", "Lucília Kato", "Roosevelt Alves da Silva", "Guilherme Oliveira Quintino", "Silvio do Desterro Cunha", "Célia Maria de Almeida Soares", "Maristela Pereira"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0094832.t002", "stats"=>{"downloads"=>1, "page_views"=>1, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Inhibitory_effect_of_the_compounds_on_the_Pb_ICL_activity_/1074178", "title"=>"Inhibitory effect of the compounds on the <i>Pb</i>ICL activity.", "pos_in_sequence"=>0, "defined_type"=>3, "published_date"=>"2014-04-21 10:16:47"}
  • {"files"=>["https://ndownloader.figshare.com/files/1554269"], "description"=>"<p>Structures and synthesis of compounds reduced argentilactone (2), epoxy argentilactone (3 and 3a) and diol argentilactone (4) from natural compound argentilactone (1).</p>", "links"=>[], "tags"=>["Biochemistry", "enzymology", "enzymes", "Plant biochemistry", "phytochemicals", "proteins", "Recombinant proteins", "biotechnology", "Computational biology", "microbiology", "Medical microbiology", "Microbial pathogens", "Microbial control", "molecular biology", "Macromolecular structure analysis", "Mycology", "organisms", "fungi", "Pathology and laboratory medicine", "pathogenesis", "pharmacology", "Drug research and development", "drug discovery", "chemistry", "phytochemistry", "synthesis", "compounds", "reduced", "argentilactone", "epoxy", "diol"], "article_id"=>1074109, "categories"=>["Biological Sciences"], "users"=>["Renata Silva do Prado", "Ricardo Justino Alves", "Cecília Maria Alves de Oliveira", "Lucília Kato", "Roosevelt Alves da Silva", "Guilherme Oliveira Quintino", "Silvio do Desterro Cunha", "Célia Maria de Almeida Soares", "Maristela Pereira"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0094832.g001", "stats"=>{"downloads"=>0, "page_views"=>9, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Structures_and_synthesis_of_compounds_reduced_argentilactone_2_epoxy_argentilactone_3_and_3a_and_diol_argentilactone_4_from_natural_compound_argentilactone_1_/1074109", "title"=>"Structures and synthesis of compounds reduced argentilactone (2), epoxy argentilactone (3 and 3a) and diol argentilactone (4) from natural compound argentilactone (1).", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2014-04-21 10:16:47"}
  • {"files"=>["https://ndownloader.figshare.com/files/1554297"], "description"=>"<p>Yeast cells were cultured at 36°C in the presence of argentilactone for 6 hours. Aliquots were taken and the cells were counted in a Neubauer chamber.*p<0,05.</p>", "links"=>[], "tags"=>["Biochemistry", "enzymology", "enzymes", "Plant biochemistry", "phytochemicals", "proteins", "Recombinant proteins", "biotechnology", "Computational biology", "microbiology", "Medical microbiology", "Microbial pathogens", "Microbial control", "molecular biology", "Macromolecular structure analysis", "Mycology", "organisms", "fungi", "Pathology and laboratory medicine", "pathogenesis", "pharmacology", "Drug research and development", "drug discovery", "chemistry", "phytochemistry", "argentilactone", "lutzii", "yeast", "cells"], "article_id"=>1074126, "categories"=>["Biological Sciences"], "users"=>["Renata Silva do Prado", "Ricardo Justino Alves", "Cecília Maria Alves de Oliveira", "Lucília Kato", "Roosevelt Alves da Silva", "Guilherme Oliveira Quintino", "Silvio do Desterro Cunha", "Célia Maria de Almeida Soares", "Maristela Pereira"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0094832.g003", "stats"=>{"downloads"=>1, "page_views"=>6, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Effect_of_argentilactone_on_P_lutzii_Pb_01_yeast_cells_growth_/1074126", "title"=>"Effect of argentilactone on <i>P. lutzii Pb</i>01 yeast cells growth.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2014-04-21 10:16:47"}
  • {"files"=>["https://ndownloader.figshare.com/files/1554310"], "description"=>"<p>The mycelium was incubated for 10 days at 36°C on MMcM agar containing glucose or acetate and supplemented with different concentrations of argentilactone, reduced argentilactone, epoxy argentilactone, and diol argentilactone. Cell morphology was observed by optical microscopy in medium containing glucose (<b>A</b>) or acetate (<b>B</b>). The <i>P. lutzii Pb</i>01 yeast cells were counted using a Neubauer chamber in medium containing glucose (<b>C</b>) or acetate (<b>D</b>). *p<0,05.</p>", "links"=>[], "tags"=>["Biochemistry", "enzymology", "enzymes", "Plant biochemistry", "phytochemicals", "proteins", "Recombinant proteins", "biotechnology", "Computational biology", "microbiology", "Medical microbiology", "Microbial pathogens", "Microbial control", "molecular biology", "Macromolecular structure analysis", "Mycology", "organisms", "fungi", "Pathology and laboratory medicine", "pathogenesis", "pharmacology", "Drug research and development", "drug discovery", "chemistry", "phytochemistry", "reduced", "epoxy", "diol", "argentilactone", "lutzii", "differentiation", "mycelium"], "article_id"=>1074140, "categories"=>["Biological Sciences"], "users"=>["Renata Silva do Prado", "Ricardo Justino Alves", "Cecília Maria Alves de Oliveira", "Lucília Kato", "Roosevelt Alves da Silva", "Guilherme Oliveira Quintino", "Silvio do Desterro Cunha", "Célia Maria de Almeida Soares", "Maristela Pereira"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0094832.g004", "stats"=>{"downloads"=>1, "page_views"=>14, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Effect_of_argentilactone_reduced_argentilactone_epoxy_argentilactone_and_diol_argentilactone_on_P_lutzii_Pb_01_differentiation_from_mycelium_to_yeast_/1074140", "title"=>"Effect of argentilactone, reduced argentilactone, epoxy argentilactone, and diol argentilactone on <i>P. lutzii Pb</i>01 differentiation from mycelium to yeast.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2014-04-21 10:16:47"}
  • {"files"=>["https://ndownloader.figshare.com/files/1554360"], "description"=>"<div><p>The dimorphic fungus <i>Paracoccidioides</i> spp. is responsible for paracoccidioidomycosis, the most prevalent systemic mycosis in Latin America, causing serious public health problems. Adequate treatment of mycotic infections is difficult, since fungi are eukaryotic organisms with a structure and metabolism similar to those of eukaryotic hosts. In this way, specific fungus targets have become important to search of new antifungal compound. The role of the glyoxylate cycle and its enzymes in microbial virulence has been reported in many fungal pathogens, including <i>Paracoccidioides</i> spp. Here, we show the action of argentilactone and its semi-synthetic derivative reduced argentilactone on recombinant and native isocitrate lyase from <i>Paracoccidioides lutzii Pb</i>01 (<i>Pb</i>ICL) in the presence of different carbon sources, acetate and glucose. Additionally, argentilactone and its semi-synthetic derivative reduced argentilactone exhibited relevant inhibitory activity against <i>P. lutzii Pb</i>01 yeast cells and dose-dependently influenced the transition from the mycelium to yeast phase. The other oxygenated derivatives tested, epoxy argentilactone and diol argentilactone<b>-</b>, did not show inhibitory action on the fungus. The results were supported by <i>in silico</i> experiments.</p></div>", "links"=>[], "tags"=>["Biochemistry", "enzymology", "enzymes", "Plant biochemistry", "phytochemicals", "proteins", "Recombinant proteins", "biotechnology", "Computational biology", "microbiology", "Medical microbiology", "Microbial pathogens", "Microbial control", "molecular biology", "Macromolecular structure analysis", "Mycology", "organisms", "fungi", "Pathology and laboratory medicine", "pathogenesis", "pharmacology", "Drug research and development", "drug discovery", "chemistry", "phytochemistry", "inhibition", "lutzii", "isocitrate", "lyase", "argentilactone", "semi-synthetic", "derivatives"], "article_id"=>1074186, "categories"=>["Biological Sciences"], "users"=>["Renata Silva do Prado", "Ricardo Justino Alves", "Cecília Maria Alves de Oliveira", "Lucília Kato", "Roosevelt Alves da Silva", "Guilherme Oliveira Quintino", "Silvio do Desterro Cunha", "Célia Maria de Almeida Soares", "Maristela Pereira"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0094832", "stats"=>{"downloads"=>2, "page_views"=>12, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/Inhibition_of_Paracoccidioides_lutzii_Pb_01_Isocitrate_Lyase_by_the_Natural_Compound_Argentilactone_and_Its_Semi_Synthetic_Derivatives/1074186", "title"=>"Inhibition of <i>Paracoccidioides lutzii Pb</i>01 Isocitrate Lyase by the Natural Compound Argentilactone and Its Semi-Synthetic Derivatives", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2014-04-21 10:16:47"}
  • {"files"=>["https://ndownloader.figshare.com/files/1554357"], "description"=>"<p>The values correspond to specific activity in U = 1 µmol of glyoxylate-phenylhydrazone per minute;</p><p>C: Control without argentilactone;</p><p>T: Treated with 18 µg/mL of argentilactone;</p><p>*<i>p</i><0.05.</p>", "links"=>[], "tags"=>["Biochemistry", "enzymology", "enzymes", "Plant biochemistry", "phytochemicals", "proteins", "Recombinant proteins", "biotechnology", "Computational biology", "microbiology", "Medical microbiology", "Microbial pathogens", "Microbial control", "molecular biology", "Macromolecular structure analysis", "Mycology", "organisms", "fungi", "Pathology and laboratory medicine", "pathogenesis", "pharmacology", "Drug research and development", "drug discovery", "chemistry", "phytochemistry", "argentilactone", "phases", "lutzii"], "article_id"=>1074181, "categories"=>["Biological Sciences"], "users"=>["Renata Silva do Prado", "Ricardo Justino Alves", "Cecília Maria Alves de Oliveira", "Lucília Kato", "Roosevelt Alves da Silva", "Guilherme Oliveira Quintino", "Silvio do Desterro Cunha", "Célia Maria de Almeida Soares", "Maristela Pereira"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0094832.t001", "stats"=>{"downloads"=>0, "page_views"=>5, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Inhibitory_effect_of_the_argentilactone_on_the_Pb_ICL_activity_from_phases_of_Paracoccidioides_lutzii_Pb_01_/1074181", "title"=>"Inhibitory effect of the argentilactone on the <i>Pb</i>ICL activity from phases of <i>Paracoccidioides lutzii Pb</i>01.", "pos_in_sequence"=>0, "defined_type"=>3, "published_date"=>"2014-04-21 10:16:47"}
  • {"files"=>["https://ndownloader.figshare.com/files/1554321"], "description"=>"<p>Superimposition of the homology model (red) and molecular dynamic structure (yellow) of <i>Pb</i>ICL is shown. The molecular dynamic-model structure was obtained using the program g_cluster, which determined the conformation that best represents the last 10 ns of the trajectory.</p>", "links"=>[], "tags"=>["Biochemistry", "enzymology", "enzymes", "Plant biochemistry", "phytochemicals", "proteins", "Recombinant proteins", "biotechnology", "Computational biology", "microbiology", "Medical microbiology", "Microbial pathogens", "Microbial control", "molecular biology", "Macromolecular structure analysis", "Mycology", "organisms", "fungi", "Pathology and laboratory medicine", "pathogenesis", "pharmacology", "Drug research and development", "drug discovery", "chemistry", "phytochemistry", "rmsd", "molecular", "simulations", "20"], "article_id"=>1074148, "categories"=>["Biological Sciences"], "users"=>["Renata Silva do Prado", "Ricardo Justino Alves", "Cecília Maria Alves de Oliveira", "Lucília Kato", "Roosevelt Alves da Silva", "Guilherme Oliveira Quintino", "Silvio do Desterro Cunha", "Célia Maria de Almeida Soares", "Maristela Pereira"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0094832.g005", "stats"=>{"downloads"=>1, "page_views"=>9, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Dynamic_profile_for_RMSD_obtained_in_molecular_dynamic_simulations_of_Pb_ICL_after_20_ns_/1074148", "title"=>"Dynamic profile for RMSD obtained in molecular dynamic simulations of <i>Pb</i>ICL after 20 ns.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2014-04-21 10:16:47"}
  • {"files"=>["https://ndownloader.figshare.com/files/1554350"], "description"=>"<p><sup>1</sup>Lennard-Jones Energies inside the shortest cutof (Short-Range);</p><p><sup>2</sup>Coulomb potential within rcoulomb cutof (Short-Range);</p><p><sup>3</sup>non-bonded terms only were considered;</p><p><sup>a</sup>Accessible Surface Area (ASA) to the solvent in binding pocket of <i>Pb</i>ICL.</p>§<p>Accessible Surface Area to the solvent of the compound without the presence of <i>Pb</i>ICL, but maintaining its conformation conferred in the binding pocket.</p>", "links"=>[], "tags"=>["Biochemistry", "enzymology", "enzymes", "Plant biochemistry", "phytochemicals", "proteins", "Recombinant proteins", "biotechnology", "Computational biology", "microbiology", "Medical microbiology", "Microbial pathogens", "Microbial control", "molecular biology", "Macromolecular structure analysis", "Mycology", "organisms", "fungi", "Pathology and laboratory medicine", "pathogenesis", "pharmacology", "Drug research and development", "drug discovery", "chemistry", "phytochemistry", "energies", "compounds", "binding"], "article_id"=>1074177, "categories"=>["Biological Sciences"], "users"=>["Renata Silva do Prado", "Ricardo Justino Alves", "Cecília Maria Alves de Oliveira", "Lucília Kato", "Roosevelt Alves da Silva", "Guilherme Oliveira Quintino", "Silvio do Desterro Cunha", "Célia Maria de Almeida Soares", "Maristela Pereira"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0094832.t004", "stats"=>{"downloads"=>1, "page_views"=>4, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Intermolecular_energies_of_the_compounds_in_binding_pocket_of_Pb_ICL_/1074177", "title"=>"Intermolecular energies of the compounds in binding pocket of <i>Pb</i>ICL.", "pos_in_sequence"=>0, "defined_type"=>3, "published_date"=>"2014-04-21 10:16:47"}

PMC Usage Stats | Further Information

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Relative Metric

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