Structural Bases of Norovirus RNA Dependent RNA Polymerase Inhibition by Novel Suramin-Related Compounds
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{"title"=>"STructural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds", "type"=>"journal", "authors"=>[{"first_name"=>"Romina", "last_name"=>"Croci", "scopus_author_id"=>"55967564300"}, {"first_name"=>"Margherita", "last_name"=>"Pezzullo", "scopus_author_id"=>"36947994800"}, {"first_name"=>"Delia", "last_name"=>"Tarantino", "scopus_author_id"=>"7003741799"}, {"first_name"=>"Mario", "last_name"=>"Milani", "scopus_author_id"=>"35237674300"}, {"first_name"=>"Shwu Chen", "last_name"=>"Tsay", "scopus_author_id"=>"7101899830"}, {"first_name"=>"Radhakrishnan", "last_name"=>"Sureshbabu", "scopus_author_id"=>"56082757100"}, {"first_name"=>"Yi Jin", "last_name"=>"Tsai", "scopus_author_id"=>"56118022900"}, {"first_name"=>"Eloise", "last_name"=>"Mastrangelo", "scopus_author_id"=>"14066347900"}, {"first_name"=>"Jacques", "last_name"=>"Rohayem", "scopus_author_id"=>"6603354861"}, {"first_name"=>"Martino", "last_name"=>"Bolognesi", "scopus_author_id"=>"35433930400"}, {"first_name"=>"Jih Ru", "last_name"=>"Hwu", "scopus_author_id"=>"7102275811"}], "year"=>2014, "source"=>"PLoS ONE", "identifiers"=>{"issn"=>"19326203", "pui"=>"372785674", "doi"=>"10.1371/journal.pone.0091765", "sgr"=>"84898733316", "scopus"=>"2-s2.0-84898733316", "isbn"=>"1932-6203 (Electronic)\\r1932-6203 (Linking)", "pmid"=>"24622391"}, "id"=>"842a65be-21e0-3066-906f-ad450e629a7a", "abstract"=>"Noroviruses (NV) are +ssRNA viruses responsible for severe gastroenteritis; no effective vaccines/antivirals are currently available. We previously identified Suramin (9) as a potent inhibitor of NV-RNA dependent RNA polymerase (NV-RdRp). Despite significant in vitro activities versus several pharmacological targets, Suramin clinical use is hampered by pharmacokinetics/toxicity problems. To improve Suramin access to NV-RdRp in vivo, a Suramin-derivative, 8, devoid of two sulphonate groups, was synthesized, achieving significant anti-human-NV-RdRp activity (IC50 = 28 nM); the compound inhibits also murine NV (mNV) RdRp. The synthesis process led to the isolation/characterization of lower molecular weight intermediates (3-7) hosting only one sulphonate head. The crystal structures of both hNV/mNV-RdRps in complex with 6, were analyzed, providing new knowledge on the interactions that a small fragment can establish with NV-RdRps, and establishing a platform for structure-guided optimization of potency, selectivity and drugability.", "link"=>"http://www.mendeley.com/research/structural-bases-norovirus-rna-dependent-rna-polymerase-inhibition-novel-suraminrelated-compounds", "reader_count"=>22, "reader_count_by_academic_status"=>{"Professor > Associate Professor"=>2, "Researcher"=>7, "Student > Ph. D. Student"=>4, "Student > Master"=>1, "Other"=>1, "Student > Bachelor"=>4, "Lecturer"=>1, "Professor"=>1, "Unspecified"=>1}, "reader_count_by_user_role"=>{"Professor > Associate Professor"=>2, "Researcher"=>7, "Student > Ph. D. Student"=>4, "Student > Master"=>1, "Other"=>1, "Student > Bachelor"=>4, "Lecturer"=>1, "Professor"=>1, "Unspecified"=>1}, "reader_count_by_subject_area"=>{"Environmental Science"=>1, "Biochemistry, Genetics and Molecular Biology"=>4, "Agricultural and Biological Sciences"=>7, "Medicine and Dentistry"=>5, "Veterinary Science and Veterinary Medicine"=>1, "Physics and Astronomy"=>1, "Chemistry"=>2, "Unspecified"=>1}, "reader_count_by_subdiscipline"=>{"Medicine and Dentistry"=>{"Medicine and Dentistry"=>5}, "Chemistry"=>{"Chemistry"=>2}, "Physics and Astronomy"=>{"Physics and Astronomy"=>1}, "Agricultural and Biological Sciences"=>{"Agricultural and Biological Sciences"=>7}, "Biochemistry, Genetics and Molecular Biology"=>{"Biochemistry, Genetics and Molecular Biology"=>4}, "Environmental Science"=>{"Environmental Science"=>1}, "Unspecified"=>{"Unspecified"=>1}, "Veterinary Science and Veterinary Medicine"=>{"Veterinary Science and Veterinary Medicine"=>1}}, "reader_count_by_country"=>{"United States"=>1}, "group_count"=>1}

Scopus | Further Information

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Figshare

  • {"files"=>["https://ndownloader.figshare.com/files/1416984"], "description"=>"a<p>The Bookser's method was applied.</p>b<p>The shake–flask method was applied.</p>", "links"=>[], "tags"=>["Biochemistry", "enzymes", "Enzyme structure", "proteins", "protein structure", "drug discovery", "Small molecules", "biophysics", "Biomacromolecule-ligand interactions", "chemical biology", "medicinal chemistry", "organic chemistry", "solubility", "hydrophobicity", "sulphonates"], "article_id"=>959509, "categories"=>["Biological Sciences", "Chemistry"], "users"=>["Romina Croci", "Margherita Pezzullo", "Delia Tarantino", "Mario Milani", "Shwu-Chen Tsay", "Radhakrishnan Sureshbabu", "Yi-Jin Tsai", "Eloise Mastrangelo", "Jacques Rohayem", "Martino Bolognesi", "Jih Ru Hwu"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0091765.t001", "stats"=>{"downloads"=>9, "page_views"=>17, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Water_solubility_and_hydrophobicity_of_organic_sulphonates_3_8211_8_and_Suramin_/959509", "title"=>"Water solubility and hydrophobicity of organic sulphonates <b>3–8</b> and Suramin.", "pos_in_sequence"=>0, "defined_type"=>3, "published_date"=>"2014-03-12 03:19:58"}
  • {"files"=>["https://ndownloader.figshare.com/files/1416983"], "description"=>"<p>*Values in parentheses are for the highest resolution shell: (2.13–2.02 Å for hNV RdRp/<b>6</b>, 2.42–2.30 Å for mNV RdRp/<b>6</b>).</p>†<p>R<sub>merge</sub> = Σ |<i>I</i>−(<i>I</i>)|/Σ <i>I</i> x 100, where <i>I</i> is intensity of a reflection and (<i>I</i>) is its average intensity.</p>‡<p>R <sub>factor</sub> = Σ |F<sub>o</sub>−F<sub>c</sub>|/Σ |F<sub>o</sub>| x 100.</p>§<p>R<sub>free</sub> is calculated on 5% randomly selected reflections, for cross-validation.</p>", "links"=>[], "tags"=>["Biochemistry", "enzymes", "Enzyme structure", "proteins", "protein structure", "drug discovery", "Small molecules", "biophysics", "Biomacromolecule-ligand interactions", "chemical biology", "medicinal chemistry", "organic chemistry", "data-collection", "refinement"], "article_id"=>959508, "categories"=>["Biological Sciences", "Chemistry"], "users"=>["Romina Croci", "Margherita Pezzullo", "Delia Tarantino", "Mario Milani", "Shwu-Chen Tsay", "Radhakrishnan Sureshbabu", "Yi-Jin Tsai", "Eloise Mastrangelo", "Jacques Rohayem", "Martino Bolognesi", "Jih Ru Hwu"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0091765.t003", "stats"=>{"downloads"=>0, "page_views"=>4, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_X_ray_data_collection_and_refinement_statistics_for_the_hNV_RdRP_6_complex_/959508", "title"=>"X-ray data-collection and refinement statistics for the hNV-RdRP/<b>6</b> complex.", "pos_in_sequence"=>0, "defined_type"=>3, "published_date"=>"2014-03-12 03:19:58"}
  • {"files"=>["https://ndownloader.figshare.com/files/1416977"], "description"=>"<p>Superposition of the crystal structures of hNV-RdRp in cartoon (magenta) bound to <b>6</b> (yellow carbon atoms) in sticks, onto mNV-RdRp in cartoon (blue), bound to <b>6</b> (carbon atoms in green) in sticks. The suramin position (in sticks orange carbons) is obtained from superposition of pdb-id 3UR0 (Mastrangelo et al., 2012) (Figures created using PyMol (<a href=\"http://www.pymol.org\" target=\"_blank\">http://www.pymol.org</a>)).</p>", "links"=>[], "tags"=>["Biochemistry", "enzymes", "Enzyme structure", "proteins", "protein structure", "drug discovery", "Small molecules", "biophysics", "Biomacromolecule-ligand interactions", "chemical biology", "medicinal chemistry", "organic chemistry", "hnv"], "article_id"=>959502, "categories"=>["Biological Sciences", "Chemistry"], "users"=>["Romina Croci", "Margherita Pezzullo", "Delia Tarantino", "Mario Milani", "Shwu-Chen Tsay", "Radhakrishnan Sureshbabu", "Yi-Jin Tsai", "Eloise Mastrangelo", "Jacques Rohayem", "Martino Bolognesi", "Jih Ru Hwu"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0091765.g002", "stats"=>{"downloads"=>0, "page_views"=>7, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Superposition_of_hNV_and_mNV_RdRp_6_complex_structures_/959502", "title"=>"Superposition of hNV and mNV-RdRp/6 complex structures.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2014-03-12 03:19:58"}
  • {"files"=>["https://ndownloader.figshare.com/files/1416973"], "description"=>"<p>Total synthesis of Suramin derivative <b>8</b> from commercially available starting materials. The Suramin molecule (<b>9</b>) is also shown for comparison.</p>", "links"=>[], "tags"=>["Biochemistry", "enzymes", "Enzyme structure", "proteins", "protein structure", "drug discovery", "Small molecules", "biophysics", "Biomacromolecule-ligand interactions", "chemical biology", "medicinal chemistry", "organic chemistry", "derivative"], "article_id"=>959499, "categories"=>["Biological Sciences", "Chemistry"], "users"=>["Romina Croci", "Margherita Pezzullo", "Delia Tarantino", "Mario Milani", "Shwu-Chen Tsay", "Radhakrishnan Sureshbabu", "Yi-Jin Tsai", "Eloise Mastrangelo", "Jacques Rohayem", "Martino Bolognesi", "Jih Ru Hwu"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0091765.g001", "stats"=>{"downloads"=>7, "page_views"=>105, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Suramin_derivative_8_synthesis_/959499", "title"=>"Suramin derivative 8 synthesis.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2014-03-12 03:19:58"}
  • {"files"=>["https://ndownloader.figshare.com/files/1416982"], "description"=>"<p>IC<sub>50</sub> values of Suramin derivatives and Suramin (<b>9</b>) against mNV and hNV-RdRps.</p>", "links"=>[], "tags"=>["Biochemistry", "enzymes", "Enzyme structure", "proteins", "protein structure", "drug discovery", "Small molecules", "biophysics", "Biomacromolecule-ligand interactions", "chemical biology", "medicinal chemistry", "organic chemistry", "suramin", "derivatives", "mnv"], "article_id"=>959507, "categories"=>["Biological Sciences", "Chemistry"], "users"=>["Romina Croci", "Margherita Pezzullo", "Delia Tarantino", "Mario Milani", "Shwu-Chen Tsay", "Radhakrishnan Sureshbabu", "Yi-Jin Tsai", "Eloise Mastrangelo", "Jacques Rohayem", "Martino Bolognesi", "Jih Ru Hwu"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0091765.t002", "stats"=>{"downloads"=>7, "page_views"=>37, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_IC_50_values_of_Suramin_derivatives_and_Suramin_9_against_mNV_and_hNV_RdRps_/959507", "title"=>"IC<sub>50</sub> values of Suramin derivatives and Suramin (<b>9</b>) against mNV and hNV-RdRps.", "pos_in_sequence"=>0, "defined_type"=>3, "published_date"=>"2014-03-12 03:19:58"}
  • {"files"=>["https://ndownloader.figshare.com/files/1416981"], "description"=>"<p>A) Fragment of <b>6</b> (carbon atoms in yellow) bound to hNV-RdRp in cartoon (magenta). All the amino acids involved in interaction with the inhibitor molecule are shown in sticks (carbon atoms in magenta). B) <b>6</b> (carbon atoms in green) bound to mNV-RdRp in cartoon (blue). All the amino acids (carbon atoms in blue) involved in interaction with the molecule are shown in sticks. 2Fo-Fc electron density contoured at 1 sigma in blue grid. C) Superposition of hNV-RdRp and mNV-RdRp, showing the structures of <b>6</b> (carbon atoms in yellow/green, respectively) bound to hNV-RdRp and to mNV-RdRp (cartoon in magenta/blue, respectively). The interacting amino acids are shown in sticks (magenta/blue carbon atoms, respectively).</p>", "links"=>[], "tags"=>["Biochemistry", "enzymes", "Enzyme structure", "proteins", "protein structure", "drug discovery", "Small molecules", "biophysics", "Biomacromolecule-ligand interactions", "chemical biology", "medicinal chemistry", "organic chemistry", "hnv"], "article_id"=>959506, "categories"=>["Biological Sciences", "Chemistry"], "users"=>["Romina Croci", "Margherita Pezzullo", "Delia Tarantino", "Mario Milani", "Shwu-Chen Tsay", "Radhakrishnan Sureshbabu", "Yi-Jin Tsai", "Eloise Mastrangelo", "Jacques Rohayem", "Martino Bolognesi", "Jih Ru Hwu"], "doi"=>"https://dx.doi.org/10.1371/journal.pone.0091765.g003", "stats"=>{"downloads"=>4, "page_views"=>4, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Interaction_network_of_hNV_and_mNV_RdRp_6_complex_/959506", "title"=>"Interaction network of hNV and mNV-RdRp/6 complex.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2014-03-12 03:19:58"}

PMC Usage Stats | Further Information

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  • {"unique-ip"=>"10", "full-text"=>"12", "pdf"=>"2", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2020", "month"=>"5"}
  • {"unique-ip"=>"16", "full-text"=>"20", "pdf"=>"2", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"1", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2020", "month"=>"6"}

Relative Metric

{"start_date"=>"2014-01-01T00:00:00Z", "end_date"=>"2014-12-31T00:00:00Z", "subject_areas"=>[{"subject_area"=>"/Biology and life sciences", "average_usage"=>[291]}, {"subject_area"=>"/Biology and life sciences/Biochemistry", "average_usage"=>[282]}, {"subject_area"=>"/Physical sciences/Physics", "average_usage"=>[266]}]}
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