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An article Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections WOS:000466053900012 published article about DIHYDROFOLATE-REDUCTASE; THYMIDYLATE SYNTHASE; BINDING MODES; LEISHMANIA; IDENTIFICATION; ASSAY; DERIVATIVES; VALIDATION; SOLUBILITY; RESISTANCE in [Linciano, Pasquale; Luciani, Rosaria; Sesenna, Antony; Quotadamo, Antonio; Costantino, Luca; Costi, Maria Paola] Univ Modena & Reggio Emilia, Dipartimento Sci Vita, Via Campi 103, I-41125 Modena, Italy; [Pozzi, Cecilia; dello Iacono, Lucia; di Pisa, Flavio; Landi, Giacomo; Bonucci, Alessio; Mangani, Stefano] Univ Siena, Dipartimento Biotecnol Chim & Farm, Via Aldo Moro 2, I-53100 Siena, Italy; [Gul, Sheraz; Kuzikov, Maria; Ellinger, Bernhard; Witt, Gesa] Fraunhofer Inst Mol Biol & Appl Ecol Screening Po, D-22525 Hamburg, Germany; [Santarem, Nuno; Baptista, Catarina] Inst Mol & Cell Biol, P-4150180 Porto, Portugal; [Santarem, Nuno; Baptista, Catarina] Univ Porto, Inst Invest & Inovacao Saude, P-4150180 Porto, Portugal; [Franco, Caio; Moraes, Carolina B.] CNPEM, Lab Nacl Biociencias LNBio, BR-13083100 Campinas, SP, Brazil; [Mueller, Wolfgang; Wittig, Ulrike] HITS, Sci Databases & Visualizat Grp, D-69118 Heidelberg, Germany; [Wittig, Ulrike] HITS, Mol & Cellular Modeling Grp, D-69118 Heidelberg, Germany; [Franco, Caio; Moraes, Carolina B.] Univ Sao Paulo, Dept Microbiol, Inst Biomed Sci, BR-05508900 Sao Paulo, SP, Brazil in 2019.0, Cited 57.0. Application In Synthesis of Diphenylmethanamine. The Name is Diphenylmethanamine. Through research, I have a further understanding and discovery of 91-00-9

2-Amino-benzo[d]thiazole was identified as a new scaffold for the development of improved pteridine reductase-1 (PTR1) inhibitors and anti-trypanosomatidic agents. Molecular docking and crystallography guided the design and synthesis of 42 new benzothiazoles. The compounds were assessed for Trypanosoma brucei and Leishmania major PTR1 inhibition and in vitro activity against T. brucei and amastigote Leishmania infantum. We identified several 2-amino-benzo[d]thiazoles with improved enzymatic activity (TbPTR1 IC50 = 0.35 mu M; LmPTR1 IC50 = 1.9 mu M) and low mu M antiparasitic activity against T. brucei. The ten most active compounds against TbPTR1 were able to potentiate the antiparasitic activity of methotrexate when evaluated in combination against T. brucei, with a potentiating index between 1.2 and 2.7. The compound library was profiled for early ADME toxicity, and 2-amino-N-benzylbenzo[d]thiazole-6-carboxamide (4c) was finally identified as a novel potent, safe, and selective anti-trypanocydal agent (EC50 = 7.0 mu M). Formulation of 4c with hydroxypropyl-beta-cyclodextrin yielded good oral bioavailability, encouraging progression to in vivo studies.

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