Molecular docking to Toxoplasma gondii thymidylate synthase-dihydrofolate reductase and efficacy of raltitrexed in infected mice

Michelle de Paula Reis; Daniely Alves de Lima; Karoline Bach Pauli; Carlos Eduardo Linhares Andreotti; André Luiz Soares de Moraes; Daniela Dib Gonçalves; Italmar Teodorico Navarro; Paulo Sérgio Alves Bueno; Flavio Augusto Vicente Seixas; Arquimedes Gasparotto Junior; Emerson Luiz Botelho Lourenço

doi:10.1007/s00436-018-5835-5

Molecular docking to Toxoplasma gondii thymidylate synthase-dihydrofolate reductase and efficacy of raltitrexed in infected mice

Parasitology Research ◽

10.1007/s00436-018-5835-5 ◽

2018 ◽

Vol 117 (5) ◽

pp. 1465-1471

Author(s):

Michelle de Paula Reis ◽

Daniely Alves de Lima ◽

Karoline Bach Pauli ◽

Carlos Eduardo Linhares Andreotti ◽

André Luiz Soares de Moraes ◽

...

Keyword(s):

Molecular Docking ◽

Toxoplasma Gondii ◽

Dihydrofolate Reductase ◽

Thymidylate Synthase

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Homology modelling, molecular docking, and molecular dynamics simulations reveal the inhibition of Leishmania donovani dihydrofolate reductase-thymidylate synthase enzyme by Withaferin-A

BMC Research Notes ◽

10.1186/s13104-018-3354-1 ◽

2018 ◽

Vol 11 (1) ◽

Cited By ~ 10

Author(s):

Bharadwaja Vadloori ◽

A. K. Sharath ◽

N. Prakash Prabhu ◽

Radheshyam Maurya

Keyword(s):

Molecular Dynamics ◽

Molecular Docking ◽

Molecular Dynamics Simulations ◽

Dihydrofolate Reductase ◽

Thymidylate Synthase ◽

Leishmania Donovani ◽

Homology Modelling ◽

Withaferin A ◽

Dynamics Simulations

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Structural studies of dihydrofolate reductase-thymidylate synthase from Toxoplasma gondii and dynamin 1 from Rattus norvegicus.

10.1349/ddlp.235 ◽

2008 ◽

Author(s):

Kimberly A. W. Peaslee

Keyword(s):

Toxoplasma Gondii ◽

Dihydrofolate Reductase ◽

Thymidylate Synthase ◽

Rattus Norvegicus ◽

Structural Studies

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Toward Rational Design of Species-Specific Inhibitors of Pneumocystis carinii Thymidylate Synthase and Toxoplasma gondii Dihydrofolate Reductase-Thymidylate Synthase

Journal of Eukaryotic Microbiology ◽

10.1111/j.1550-7408.2001.tb00507.x ◽

2001 ◽

Vol 48 ◽

pp. 174s-175s

Author(s):

KIMBERLY A.W. PEASLEE ◽

AMY C. ANDERSON

Keyword(s):

Toxoplasma Gondii ◽

Dihydrofolate Reductase ◽

Thymidylate Synthase ◽

Rational Design ◽

Pneumocystis Carinii ◽

Species Specific ◽

Specific Inhibitors

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Stable molecular transformation of Toxoplasma gondii: a selectable dihydrofolate reductase-thymidylate synthase marker based on drug-resistance mutations in malaria.

Proceedings of the National Academy of Sciences ◽

10.1073/pnas.90.24.11703 ◽

1993 ◽

Vol 90 (24) ◽

pp. 11703-11707 ◽

Cited By ~ 239

Author(s):

R. G. Donald ◽

D. S. Roos

Keyword(s):

Drug Resistance ◽

Toxoplasma Gondii ◽

Dihydrofolate Reductase ◽

Thymidylate Synthase ◽

Resistance Mutations ◽

Drug Resistance Mutations

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Binding mode analysis of dual inhibitors of human thymidylate synthase and dihydrofolate reductase as antitumour agents via molecular docking and DFT studies

Molecular Simulation ◽

10.1080/08927022.2014.880909 ◽

2014 ◽

Vol 41 (4) ◽

pp. 311-314

Author(s):

Mahreen Arooj ◽

Keun Woo Lee

Keyword(s):

Molecular Docking ◽

Dihydrofolate Reductase ◽

Thymidylate Synthase ◽

Binding Mode ◽

Mode Analysis ◽

Dft Studies ◽

Antitumour Agents ◽

Dual Inhibitors

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Transcript initiation, polyadenylation, and functional promoter mapping for the dihydrofolate reductase-thymidylate synthase gene of Toxoplasma gondii

Molecular and Biochemical Parasitology ◽

10.1016/j.molbiopara.2003.12.015 ◽

2004 ◽

Vol 137 (2) ◽

pp. 229-238 ◽

Cited By ~ 22

Author(s):

Mariana Matrajt ◽

Craig D. Platt ◽

Anurag D. Sagar ◽

A. Lindsay ◽

C. Moulton ◽

...

Keyword(s):

Toxoplasma Gondii ◽

Dihydrofolate Reductase ◽

Thymidylate Synthase ◽

Transcript Initiation

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Stable transformation of Toxoplasma gondii based on a pyrimethamine resistant trifunctional dihydrofolate reductase-cytosine deaminase-thymidylate synthase gene that confers sensitivity to 5-fluorocytosine

Molecular and Biochemical Parasitology ◽

10.1016/s0166-6851(98)00154-6 ◽

1999 ◽

Vol 98 (1) ◽

pp. 93-103 ◽

Cited By ~ 22

Author(s):

BarbaraA. Fox ◽

AlexiaA. Belperron ◽

DavidJ. Bzik

Keyword(s):

Toxoplasma Gondii ◽

Dihydrofolate Reductase ◽

Thymidylate Synthase ◽

Cytosine Deaminase ◽

Stable Transformation

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Selective peptide inhibitors of bifunctional thymidylate synthase-dihydrofolate reductase from Toxoplasma gondii provide insights into domain-domain communication and allosteric regulation

Protein Science ◽

10.1002/pro.2300 ◽

2013 ◽

Vol 22 (9) ◽

pp. 1161-1173 ◽

Cited By ~ 7

Author(s):

Mark J. Landau ◽

Hitesh Sharma ◽

Karen S. Anderson

Keyword(s):

Toxoplasma Gondii ◽

Dihydrofolate Reductase ◽

Thymidylate Synthase ◽

Allosteric Regulation ◽

Peptide Inhibitors

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A Molecular Docking Strategy Identifies Eosin B as a Non-active Site Inhibitor of Protozoal Bifunctional Thymidylate Synthase-Dihydrofolate Reductase

Journal of Biological Chemistry ◽

10.1074/jbc.m212690200 ◽

2003 ◽

Vol 278 (16) ◽

pp. 14092-14100 ◽

Cited By ~ 18

Author(s):

Chloé E. Atreya ◽

Eric F. Johnson ◽

John J. Irwin ◽

Antonia Dow ◽

Kristen M. Massimine ◽

...

Keyword(s):

Molecular Docking ◽

Dihydrofolate Reductase ◽

Thymidylate Synthase ◽

Active Site ◽

Eosin B

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Homologous recombination and gene replacement at the dihydrofolate reductase-thymidylate synthase locus in Toxoplasma gondii

Molecular and Biochemical Parasitology ◽

10.1016/0166-6851(94)90060-4 ◽

1994 ◽

Vol 63 (2) ◽

pp. 243-253 ◽

Cited By ~ 69

Author(s):

Robert G.K. Donald ◽

David S. Roos

Keyword(s):

Toxoplasma Gondii ◽

Homologous Recombination ◽

Dihydrofolate Reductase ◽

Thymidylate Synthase ◽

Gene Replacement

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