Novel Triazine JPC-2067-B Inhibits Toxoplasma gondii In Vitro and In Vivo
Publication Date
March 05, 2008
Journal
PLOS Neglected Tropical Diseases
Authors
Ernest J. Mui, Guy A. Schiehser, Wilbur K. Milhous, Honghue Hsu, et al
Volume
2
Issue
3
Pages
e190
DOI
https://dx.plos.org/10.1371/journal.pntd.0000190
Publisher URL
http://journals.plos.org/plosntds/article?id=10.1371%2Fjournal.pntd.0000190
PubMed
http://www.ncbi.nlm.nih.gov/pubmed/18320016
PubMed Central
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2254147
Europe PMC
http://europepmc.org/abstract/MED/18320016
Web of Science
000261806600018
Scopus
48949118010
Mendeley
http://www.mendeley.com/research/novel-triazine-jpc2067b-inhibits-toxoplasma-gondii-vitro-vivo
Events
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Mendeley | Further Information

{"title"=>"Novel triazine JPC-2067-B inhibits Toxoplasma gondii in vitro and in vivo", "type"=>"journal", "authors"=>[{"first_name"=>"Ernest J.", "last_name"=>"Mui", "scopus_author_id"=>"6602386941"}, {"first_name"=>"Guy A.", "last_name"=>"Schiehser", "scopus_author_id"=>"6507250852"}, {"first_name"=>"Wilbur K.", "last_name"=>"Milhous", "scopus_author_id"=>"7005956080"}, {"first_name"=>"Honghue", "last_name"=>"Hsu", "scopus_author_id"=>"8534187700"}, {"first_name"=>"Craig W.", "last_name"=>"Roberts", "scopus_author_id"=>"25940305600"}, {"first_name"=>"Michael", "last_name"=>"Kirisits", "scopus_author_id"=>"6603040441"}, {"first_name"=>"Stephen", "last_name"=>"Muench", "scopus_author_id"=>"6603017352"}, {"first_name"=>"David", "last_name"=>"Rice", "scopus_author_id"=>"7402056324"}, {"first_name"=>"J. P.", "last_name"=>"Dubey", "scopus_author_id"=>"7201791666"}, {"first_name"=>"Joseph W.", "last_name"=>"Fowble", "scopus_author_id"=>"6602656447"}, {"first_name"=>"Pradipsinh K.", "last_name"=>"Rathod", "scopus_author_id"=>"35254461600"}, {"first_name"=>"Sherry F.", "last_name"=>"Queener", "scopus_author_id"=>"7006547726"}, {"first_name"=>"Susan R.", "last_name"=>"Liu", "scopus_author_id"=>"24470969900"}, {"first_name"=>"David P.", "last_name"=>"Jacobus", "scopus_author_id"=>"6701763170"}, {"first_name"=>"Rima", "last_name"=>"McLeod", "scopus_author_id"=>"56686310300"}], "year"=>2008, "source"=>"PLoS Neglected Tropical Diseases", "identifiers"=>{"isbn"=>"1935-2735 (Electronic)\\r1935-2727 (Linking)", "sgr"=>"48949118010", "pui"=>"352002948", "pmid"=>"18320016", "issn"=>"1935-2735", "scopus"=>"2-s2.0-48949118010", "doi"=>"10.1371/journal.pntd.0000190"}, "id"=>"e57f7d57-d653-37f9-84fe-31cb1bbb7fe5", "abstract"=>"BACKGROUND AND METHODOLOGY Toxoplasma gondii causes substantial morbidity, mortality, and costs for healthcare in the developed and developing world. Current medicines are not well tolerated and cause hypersensitivity reactions. The dihydrotriazine JPC-2067-B (4, 6-diamino-1, 2-dihydro-2, 2-dimethyl-1-(3'(2-chloro-, 4-trifluoromethoxyphenoxy)propyloxy)-1, 3, 5-triazine), which inhibits dihydrofolate reductase (DHFR), is highly effective against Plasmodium falciparum, Plasmodium vivax, and apicomplexans related to T. gondii. JPC-2067-B is the primary metabolite of the orally active biguanide JPC-2056 1-(3'-(2-chloro-4-trifluoromethoxyphenyloxy)propyl oxy)- 5-isopropylbiguanide, which is being advanced to clinical trials for malaria. Efficacy of the prodrug JPC-2056 and the active metabolite JPC-2067-B against T. gondii and T. gondii DHFR as well as toxicity toward mammalian cells were tested. PRINCIPAL FINDINGS AND CONCLUSIONS Herein, we found that JPC-2067-B is highly effective against T. gondii. We demonstrate that JPC-2067-B inhibits T. gondii growth in culture (IC50 20 nM), inhibits the purified enzyme (IC50 6.5 nM), is more efficacious than pyrimethamine, and is cidal in vitro. JPC-2067-B administered parenterally and the orally administered pro-drug (JPC-2056) are also effective against T. gondii tachyzoites in vivo. A molecular model of T. gondii DHFR-TS complexed with JPC-2067-B was developed. We found that the three main parasite clonal types and isolates from South and Central America, the United States, Canada, China, and Sri Lanka have the same amino acid sequences preserving key binding sites for the triazine. SIGNIFICANCE JPC-2056/JPC-2067-B have potential to be more effective and possibly less toxic treatments for toxoplasmosis than currently available medicines.", "link"=>"http://www.mendeley.com/research/novel-triazine-jpc2067b-inhibits-toxoplasma-gondii-vitro-vivo", "reader_count"=>33, "reader_count_by_academic_status"=>{"Professor > Associate Professor"=>1, "Researcher"=>4, "Student > Ph. D. Student"=>11, "Student > Postgraduate"=>2, "Student > Master"=>6, "Other"=>1, "Student > Bachelor"=>4, "Lecturer"=>1, "Professor"=>3}, "reader_count_by_user_role"=>{"Professor > Associate Professor"=>1, "Researcher"=>4, "Student > Ph. D. Student"=>11, "Student > Postgraduate"=>2, "Student > Master"=>6, "Other"=>1, "Student > Bachelor"=>4, "Lecturer"=>1, "Professor"=>3}, "reader_count_by_subject_area"=>{"Unspecified"=>2, "Biochemistry, Genetics and Molecular Biology"=>2, "Medicine and Dentistry"=>7, "Agricultural and Biological Sciences"=>12, "Veterinary Science and Veterinary Medicine"=>1, "Chemistry"=>8, "Immunology and Microbiology"=>1}, "reader_count_by_subdiscipline"=>{"Medicine and Dentistry"=>{"Medicine and Dentistry"=>7}, "Chemistry"=>{"Chemistry"=>8}, "Immunology and Microbiology"=>{"Immunology and Microbiology"=>1}, "Agricultural and Biological Sciences"=>{"Agricultural and Biological Sciences"=>12}, "Biochemistry, Genetics and Molecular Biology"=>{"Biochemistry, Genetics and Molecular Biology"=>2}, "Unspecified"=>{"Unspecified"=>2}, "Veterinary Science and Veterinary Medicine"=>{"Veterinary Science and Veterinary Medicine"=>1}}, "reader_count_by_country"=>{"Belgium"=>1, "Germany"=>1}, "group_count"=>1}

Scopus | Further Information

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  • {"month"=>"3", "year"=>"2018", "pdf_views"=>"0", "xml_views"=>"0", "html_views"=>"2"}
  • {"month"=>"4", "year"=>"2018", "pdf_views"=>"4", "xml_views"=>"0", "html_views"=>"9"}
  • {"month"=>"5", "year"=>"2018", "pdf_views"=>"2", "xml_views"=>"0", "html_views"=>"5"}
  • {"month"=>"6", "year"=>"2018", "pdf_views"=>"4", "xml_views"=>"0", "html_views"=>"3"}
  • {"month"=>"7", "year"=>"2018", "pdf_views"=>"0", "xml_views"=>"3", "html_views"=>"1"}
  • {"month"=>"8", "year"=>"2018", "pdf_views"=>"7", "xml_views"=>"1", "html_views"=>"13"}
  • {"month"=>"9", "year"=>"2018", "pdf_views"=>"4", "xml_views"=>"0", "html_views"=>"3"}
  • {"month"=>"10", "year"=>"2018", "pdf_views"=>"2", "xml_views"=>"1", "html_views"=>"2"}
  • {"month"=>"11", "year"=>"2018", "pdf_views"=>"4", "xml_views"=>"0", "html_views"=>"3"}
  • {"month"=>"12", "year"=>"2018", "pdf_views"=>"1", "xml_views"=>"0", "html_views"=>"4"}
  • {"month"=>"1", "year"=>"2019", "pdf_views"=>"2", "xml_views"=>"0", "html_views"=>"4"}
  • {"month"=>"2", "year"=>"2019", "pdf_views"=>"6", "xml_views"=>"2", "html_views"=>"8"}
  • {"month"=>"3", "year"=>"2019", "pdf_views"=>"4", "xml_views"=>"1", "html_views"=>"2"}
  • {"month"=>"4", "year"=>"2019", "pdf_views"=>"6", "xml_views"=>"1", "html_views"=>"13"}
  • {"month"=>"5", "year"=>"2019", "pdf_views"=>"6", "xml_views"=>"0", "html_views"=>"5"}
  • {"month"=>"6", "year"=>"2019", "pdf_views"=>"3", "xml_views"=>"0", "html_views"=>"4"}
  • {"month"=>"7", "year"=>"2019", "pdf_views"=>"3", "xml_views"=>"0", "html_views"=>"8"}
  • {"month"=>"8", "year"=>"2019", "pdf_views"=>"5", "xml_views"=>"0", "html_views"=>"4"}
  • {"month"=>"9", "year"=>"2019", "pdf_views"=>"5", "xml_views"=>"0", "html_views"=>"5"}
  • {"month"=>"10", "year"=>"2019", "pdf_views"=>"4", "xml_views"=>"1", "html_views"=>"3"}
  • {"month"=>"11", "year"=>"2019", "pdf_views"=>"8", "xml_views"=>"0", "html_views"=>"10"}
  • {"month"=>"12", "year"=>"2019", "pdf_views"=>"10", "xml_views"=>"2", "html_views"=>"9"}
  • {"month"=>"1", "year"=>"2020", "pdf_views"=>"9", "xml_views"=>"0", "html_views"=>"3"}

Figshare

  • {"files"=>["https://ndownloader.figshare.com/files/936619"], "description"=>"<p>Values shown are micromolar IC<sub>50</sub> values (95% Confidence Intervals).</p>", "links"=>[], "tags"=>["jpc-2067-b", "pyrimethamine", "recombinant", "pfdhfr", "hdhfr", "DHFR", "tg"], "article_id"=>607042, "categories"=>["Physics"], "users"=>["Ernest J. Mui", "Guy A. Schiehser", "Wilbur K. Milhous", "Honghue Hsu", "Craig W. Roberts", "Michael Kirisits", "Stephen Muench", "David Rice", "J. P. Dubey", "Joseph W. Fowble", "Pradipsinh K. Rathod", "Sherry F. Queener", "Susan R. Liu", "David P. Jacobus", "Rima McLeod"], "doi"=>"https://dx.doi.org/10.1371/journal.pntd.0000190.t002", "stats"=>{"downloads"=>4, "page_views"=>36, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Comparison_of_IC_50_of_JPC_2067_B_and_Pyrimethamine_against_recombinant_PfDHFR_and_hDHFR_and_DHFR_activity_of_Tg_lysates_/607042", "title"=>"Comparison of IC<sub>50</sub> of JPC-2067-B and Pyrimethamine against recombinant PfDHFR and hDHFR and DHFR activity of Tg lysates.", "pos_in_sequence"=>0, "defined_type"=>3, "published_date"=>"2013-02-21 10:57:59"}
  • {"files"=>["https://ndownloader.figshare.com/files/936037"], "description"=>"<p>A. Reduction of numbers by i.p. treatment of mice with JPC-2067-B. B. Reduction of numbers of parasites following treatment of mice with the pro-drug JPC-2056. JPC-2056 was administered by gavage. JPC-2056 is converted into the active compound, JPC-2067-B.</p>", "links"=>[], "tags"=>["numbers", "parasites", "peritoneal"], "article_id"=>606469, "categories"=>["Physics"], "users"=>["Ernest J. Mui", "Guy A. Schiehser", "Wilbur K. Milhous", "Honghue Hsu", "Craig W. Roberts", "Michael Kirisits", "Stephen Muench", "David Rice", "J. P. Dubey", "Joseph W. Fowble", "Pradipsinh K. Rathod", "Sherry F. Queener", "Susan R. Liu", "David P. Jacobus", "Rima McLeod"], "doi"=>"https://dx.doi.org/10.1371/journal.pntd.0000190.g003", "stats"=>{"downloads"=>2, "page_views"=>23, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Reduction_of_numbers_of_parasites_in_peritoneal_fluid_/606469", "title"=>"Reduction of numbers of parasites in peritoneal fluid.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2013-02-21 10:54:29"}
  • {"files"=>["https://ndownloader.figshare.com/files/936561"], "description"=>"<p>Values shown are micromolar IC<sub>50</sub> values (95% confidence limits).</p>", "links"=>[], "tags"=>["ic50", "jpc-2067-b", "dhfrs", "opportunistic", "pathogens", "harmful", "patients"], "article_id"=>606986, "categories"=>["Physics"], "users"=>["Ernest J. Mui", "Guy A. Schiehser", "Wilbur K. Milhous", "Honghue Hsu", "Craig W. Roberts", "Michael Kirisits", "Stephen Muench", "David Rice", "J. P. Dubey", "Joseph W. Fowble", "Pradipsinh K. Rathod", "Sherry F. Queener", "Susan R. Liu", "David P. Jacobus", "Rima McLeod"], "doi"=>"https://dx.doi.org/10.1371/journal.pntd.0000190.t001", "stats"=>{"downloads"=>5, "page_views"=>14, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Comparison_of_IC50_of_JPC_2067_B_against_DHFRs_of_T_gondii_and_other_opportunistic_pathogens_that_are_harmful_to_patients_with_AIDS_/606986", "title"=>"Comparison of IC50 of JPC-2067-B against DHFRs of <i>T. gondii</i> and other opportunistic pathogens that are harmful to patients with AIDS.", "pos_in_sequence"=>0, "defined_type"=>3, "published_date"=>"2013-02-21 10:57:41"}
  • {"files"=>["https://ndownloader.figshare.com/files/936654"], "description"=>"<p>nc = non clonal, 10 markers were used and data are in references numbers; the 10 nuclear markers include SAG1, SAG2, SAG3, BTUB, GRA6, c22-8, c29-2, L358, PK1 and a new SAG2, and an apicoplast marker Apico.</p><p>nd = only SAGII data.</p>", "links"=>[], "tags"=>["china", "sri", "lanka", "sources", "DHFR"], "article_id"=>607083, "categories"=>["Physics"], "users"=>["Ernest J. Mui", "Guy A. Schiehser", "Wilbur K. Milhous", "Honghue Hsu", "Craig W. Roberts", "Michael Kirisits", "Stephen Muench", "David Rice", "J. P. Dubey", "Joseph W. Fowble", "Pradipsinh K. Rathod", "Sherry F. Queener", "Susan R. Liu", "David P. Jacobus", "Rima McLeod"], "doi"=>"https://dx.doi.org/10.1371/journal.pntd.0000190.t003", "stats"=>{"downloads"=>1, "page_views"=>7, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Parasites_from_Brazil_Guyana_Guatemala_Canada_China_and_Sri_Lanka_that_were_sources_of_DHFR_analyzed_/607083", "title"=>"Parasites from Brazil, Guyana, Guatemala, Canada, China and Sri Lanka that were sources of DHFR analyzed.", "pos_in_sequence"=>0, "defined_type"=>3, "published_date"=>"2013-02-21 10:58:17"}
  • {"files"=>["https://ndownloader.figshare.com/files/936146"], "description"=>"<p>Activity of pyrimethamine and JPC-2067-B against <i>T. gondii</i> and rat liver DHFRs and DHFRs of other opportunistic pathogens.</p>", "links"=>[], "tags"=>["pyrimethamine", "jpc-2067-b", "dhfrs", "opportunistic"], "article_id"=>606573, "categories"=>["Physics"], "users"=>["Ernest J. Mui", "Guy A. Schiehser", "Wilbur K. Milhous", "Honghue Hsu", "Craig W. Roberts", "Michael Kirisits", "Stephen Muench", "David Rice", "J. P. Dubey", "Joseph W. Fowble", "Pradipsinh K. Rathod", "Sherry F. Queener", "Susan R. Liu", "David P. Jacobus", "Rima McLeod"], "doi"=>"https://dx.doi.org/10.1371/journal.pntd.0000190.g004", "stats"=>{"downloads"=>4, "page_views"=>16, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Activity_of_pyrimethamine_and_JPC_2067_B_against_T_gondii_and_rat_liver_DHFRs_and_DHFRs_of_other_opportunistic_pathogens_/606573", "title"=>"Activity of pyrimethamine and JPC-2067-B against <i>T. gondii</i> and rat liver DHFRs and DHFRs of other opportunistic pathogens.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2013-02-21 10:55:09"}
  • {"files"=>["https://ndownloader.figshare.com/files/936236"], "description"=>"<p>Activity of pyrimethamine and JPC-2067-B against <i>T. gondii</i>, <i>P. falciparum</i>, and human DHFRs.</p>", "links"=>[], "tags"=>["pyrimethamine", "jpc-2067-b"], "article_id"=>606669, "categories"=>["Physics"], "users"=>["Ernest J. Mui", "Guy A. Schiehser", "Wilbur K. Milhous", "Honghue Hsu", "Craig W. Roberts", "Michael Kirisits", "Stephen Muench", "David Rice", "J. P. Dubey", "Joseph W. Fowble", "Pradipsinh K. Rathod", "Sherry F. Queener", "Susan R. Liu", "David P. Jacobus", "Rima McLeod"], "doi"=>"https://dx.doi.org/10.1371/journal.pntd.0000190.g005", "stats"=>{"downloads"=>1, "page_views"=>10, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Activity_of_pyrimethamine_and_JPC_2067_B_against_T_gondii_P_falciparum_and_human_DHFRs_/606669", "title"=>"Activity of pyrimethamine and JPC-2067-B against <i>T. gondii</i>, <i>P. falciparum</i>, and human DHFRs.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2013-02-21 10:55:43"}
  • {"files"=>["https://ndownloader.figshare.com/files/935756"], "description"=>"<p>Structures of triazines JPC-2056 and JPC-2067-B.</p>", "links"=>[], "tags"=>["triazines", "jpc-2056"], "article_id"=>606192, "categories"=>["Physics"], "users"=>["Ernest J. Mui", "Guy A. Schiehser", "Wilbur K. Milhous", "Honghue Hsu", "Craig W. Roberts", "Michael Kirisits", "Stephen Muench", "David Rice", "J. P. Dubey", "Joseph W. Fowble", "Pradipsinh K. Rathod", "Sherry F. Queener", "Susan R. Liu", "David P. Jacobus", "Rima McLeod"], "doi"=>"https://dx.doi.org/10.1371/journal.pntd.0000190.g001", "stats"=>{"downloads"=>1, "page_views"=>43, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Structures_of_triazines_JPC_2056_and_JPC_2067_B_/606192", "title"=>"Structures of triazines JPC-2056 and JPC-2067-B.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2013-02-21 10:52:54"}
  • {"files"=>["https://ndownloader.figshare.com/files/936690"], "description"=>"*<p>Tester Strains TA97, TA98, TA100, TA102 and TA1535.</p>#<p>Tester Strains TA98, TA100, TA1535, TA1537 and TA1538.</p>", "links"=>[], "tags"=>["therapeutic", "comparisons", "wr99210"], "article_id"=>607127, "categories"=>["Physics"], "users"=>["Ernest J. Mui", "Guy A. Schiehser", "Wilbur K. Milhous", "Honghue Hsu", "Craig W. Roberts", "Michael Kirisits", "Stephen Muench", "David Rice", "J. P. Dubey", "Joseph W. Fowble", "Pradipsinh K. Rathod", "Sherry F. Queener", "Susan R. Liu", "David P. Jacobus", "Rima McLeod"], "doi"=>"https://dx.doi.org/10.1371/journal.pntd.0000190.t004", "stats"=>{"downloads"=>6, "page_views"=>107, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Structural_and_Therapeutic_Comparisons_of_JPC_2067_JPC_2056_WR99210_and_PS_15_/607127", "title"=>"Structural and Therapeutic Comparisons of JPC-2067, JPC-2056, WR99210 and PS-15.", "pos_in_sequence"=>0, "defined_type"=>3, "published_date"=>"2013-02-21 10:58:34"}
  • {"files"=>["https://ndownloader.figshare.com/files/935875"], "description"=>"<p>A. Thymidine uptake assay demonstrates no toxic effect on host cells. B. Uracil uptake assay demonstrates that JPC-2067-B is effective against <i>T. gondii</i> at low nanomolar concentrations. C. Micrographs showing marked inhibition of <i>T. gondii</i> by JPC-2067-B. Note absence of plaques and parasites in treated cultures. Concentrations prepared are shown. D. Micrograph showing absence of destruction of monolayers infected, exposed to JPC-2067-B for 4 days and cultured for prolonged times with <i>T. gondii</i>. The control monolayer was completely destroyed by 5 days of culture. This contrasts with similarly infected monolayers in the micrograph exposed to JPC-2067-B for 4 days and then with the JPC-2067-B removed. No plaques or <i>Toxoplasma</i> were seen throughout 52 days of culture, demonstrating that the JPC-2067-B is cidal and no drug resistant mutants were selected in this experiment. No plaques were present from 4 days through the subsequent 1 and 1/2 months after <i>in vitro</i> challenge.</p>", "links"=>[], "tags"=>["jpc-2067-b", "foreskin"], "article_id"=>606306, "categories"=>["Physics"], "users"=>["Ernest J. Mui", "Guy A. Schiehser", "Wilbur K. Milhous", "Honghue Hsu", "Craig W. Roberts", "Michael Kirisits", "Stephen Muench", "David Rice", "J. P. Dubey", "Joseph W. Fowble", "Pradipsinh K. Rathod", "Sherry F. Queener", "Susan R. Liu", "David P. Jacobus", "Rima McLeod"], "doi"=>"https://dx.doi.org/10.1371/journal.pntd.0000190.g002", "stats"=>{"downloads"=>1, "page_views"=>19, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Effect_of_JPC_2067_B_on_T_gondii_in_human_foreskin_fibroblasts_/606306", "title"=>"Effect of JPC-2067-B on <i>T. gondii</i> in human foreskin fibroblasts.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2013-02-21 10:53:32"}
  • {"files"=>["https://ndownloader.figshare.com/files/936455"], "description"=>"<p>A. A structure based sequence alignment of the DHFR-TS enzymes from <i>P. falciparum</i> (P. fal), <i>P. gallinaceum</i> (P. gal), <i>A. thaliana</i> (A. tha), <i>Medicago truncatula</i> (M. tru), <i>Theileria annulata</i> (T. ann) and <i>T. gondii</i> (T. gon). The sequence numbering for the <i>P. falciparum</i> and <i>T. gondii</i> is given above and below the alignment, respectively. The secondary structure elements for <i>P. falciparum</i> DHFR-TS are given above the alignment with blue cylinders and red arrows representing α-helices and β-sheets, respectively. Residues which display sequence conservation across all species are highlighted by a black box with reverse type. Those residues which are involved in binding NADPH, pyrimethamine and WR99210 are highlighted by a red, blue and green box below the alignment, respectively, with those residues which bind both inhibitors and/or NADPH displayed with multiple colored boxes. B. A stereo view of the <i>P. falciparum</i> DHFR/NADPH/WR99210 complex inhibitor binding site with the closely related inhibitor JPC-2067-B modeled. Those residues which form close interactions with the inhibitor are labeled and shown in a stick format, colored yellow, red, blue and orange for carbon, oxygen, nitrogen and sulfur, respectively. The modeled JPC-2067-B inhibitor and NADPH cofactor are colored purple, blue, red, orange, cyan and green for carbon, nitrogen, oxygen, phosphorous, fluorine and chlorine, respectively. In addition His27, in <i>T. gondii</i> DHFR, which replaces Cys50 in <i>P. falciparum</i> DHFR, is also shown in a stick format (colored orange for carbon and blue for nitrogen) to demonstrate its close proximity to the modeled JPC-2067-B inhibitor.</p>", "links"=>[], "tags"=>["alighnment", "dhfr-ts", "stereo", "inhibitor", "binding"], "article_id"=>606879, "categories"=>["Physics"], "users"=>["Ernest J. Mui", "Guy A. Schiehser", "Wilbur K. Milhous", "Honghue Hsu", "Craig W. Roberts", "Michael Kirisits", "Stephen Muench", "David Rice", "J. P. Dubey", "Joseph W. Fowble", "Pradipsinh K. Rathod", "Sherry F. Queener", "Susan R. Liu", "David P. Jacobus", "Rima McLeod"], "doi"=>"https://dx.doi.org/10.1371/journal.pntd.0000190.g006", "stats"=>{"downloads"=>1, "page_views"=>17, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Structure_based_sequence_alighnment_of_DHFR_TS_and_stereo_view_of_DHFR_NADPH_WR99210_complex_inhibitor_binding_site_/606879", "title"=>"Structure based sequence alighnment of DHFR-TS and stereo view of DHFR/NADPH/WR99210 complex inhibitor binding site.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2013-02-21 10:56:59"}

PMC Usage Stats | Further Information

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  • {"month"=>"4", "scanned-page-browse"=>"0", "cited-by"=>"1", "abstract"=>"0", "full-text"=>"10", "year"=>"2010", "pdf"=>"1", "unique-ip"=>"10", "figure"=>"2", "scanned-summary"=>"0", "supp-data"=>"0"}
  • {"scanned-page-browse"=>"0", "month"=>"5", "cited-by"=>"0", "abstract"=>"1", "full-text"=>"9", "unique-ip"=>"12", "pdf"=>"7", "year"=>"2010", "figure"=>"0", "scanned-summary"=>"0", "supp-data"=>"0"}
  • {"month"=>"6", "scanned-page-browse"=>"0", "cited-by"=>"0", "abstract"=>"1", "full-text"=>"20", "year"=>"2010", "pdf"=>"8", "unique-ip"=>"17", "figure"=>"0", "scanned-summary"=>"0", "supp-data"=>"0"}
  • {"scanned-page-browse"=>"0", "month"=>"7", "cited-by"=>"0", "abstract"=>"0", "full-text"=>"11", "unique-ip"=>"12", "pdf"=>"10", "year"=>"2010", "figure"=>"1", "scanned-summary"=>"0", "supp-data"=>"0"}
  • {"month"=>"8", "scanned-page-browse"=>"0", "cited-by"=>"0", "abstract"=>"0", "full-text"=>"15", "year"=>"2010", "pdf"=>"5", "unique-ip"=>"14", "figure"=>"1", "scanned-summary"=>"0", "supp-data"=>"0"}
  • {"scanned-page-browse"=>"0", "month"=>"9", "cited-by"=>"1", "abstract"=>"0", "full-text"=>"8", "unique-ip"=>"8", "pdf"=>"1", "year"=>"2010", "figure"=>"6", "scanned-summary"=>"0", "supp-data"=>"0"}
  • {"month"=>"10", "scanned-page-browse"=>"0", "cited-by"=>"0", "abstract"=>"1", "full-text"=>"9", "year"=>"2010", "pdf"=>"3", "unique-ip"=>"9", "figure"=>"1", "scanned-summary"=>"0", "supp-data"=>"0"}
  • {"scanned-page-browse"=>"0", "month"=>"11", "cited-by"=>"0", "abstract"=>"0", "full-text"=>"8", "unique-ip"=>"8", "pdf"=>"1", "year"=>"2010", "figure"=>"1", "scanned-summary"=>"0", "supp-data"=>"0"}
  • {"month"=>"12", "scanned-page-browse"=>"0", "cited-by"=>"0", "abstract"=>"0", "full-text"=>"5", "year"=>"2010", "pdf"=>"2", "unique-ip"=>"6", "figure"=>"0", "scanned-summary"=>"0", "supp-data"=>"0"}
  • {"scanned-page-browse"=>"0", "month"=>"1", "cited-by"=>"0", "abstract"=>"0", "full-text"=>"4", "unique-ip"=>"4", "pdf"=>"1", "year"=>"2011", "figure"=>"0", "scanned-summary"=>"0", "supp-data"=>"0"}
  • {"month"=>"2", "scanned-page-browse"=>"0", "cited-by"=>"0", "abstract"=>"0", "full-text"=>"12", "year"=>"2011", "pdf"=>"6", "unique-ip"=>"12", "figure"=>"1", "scanned-summary"=>"0", "supp-data"=>"0"}
  • {"scanned-page-browse"=>"0", "month"=>"3", "cited-by"=>"0", "abstract"=>"2", "full-text"=>"14", "unique-ip"=>"12", "pdf"=>"2", "year"=>"2011", "figure"=>"1", "scanned-summary"=>"0", "supp-data"=>"0"}
  • {"month"=>"4", "scanned-page-browse"=>"0", "cited-by"=>"0", "abstract"=>"1", "full-text"=>"4", "year"=>"2011", "pdf"=>"6", "unique-ip"=>"7", "figure"=>"3", "scanned-summary"=>"0", "supp-data"=>"0"}
  • {"scanned-page-browse"=>"0", "month"=>"5", "cited-by"=>"0", "abstract"=>"5", "full-text"=>"10", "unique-ip"=>"17", "pdf"=>"11", "year"=>"2011", "figure"=>"1", "scanned-summary"=>"0", "supp-data"=>"0"}
  • {"month"=>"6", "scanned-page-browse"=>"0", "cited-by"=>"0", "abstract"=>"1", "full-text"=>"26", "year"=>"2011", "pdf"=>"11", "unique-ip"=>"18", "figure"=>"4", "scanned-summary"=>"0", "supp-data"=>"0"}
  • {"scanned-page-browse"=>"0", "month"=>"7", "cited-by"=>"0", "abstract"=>"1", "full-text"=>"7", "unique-ip"=>"8", "pdf"=>"2", "year"=>"2011", "figure"=>"1", "scanned-summary"=>"0", "supp-data"=>"0"}
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Relative Metric

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