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  1. Article ; Online: 1‑Sulfonyl-3-amino‑1H‑1,2,4-triazoles as Yellow Fever Virus Inhibitors

    Elena Kazakova / Thomas R. Lane / Thane Jones / Ana C. Puhl / Olga Riabova / Vadim Makarov / Sean Ekins

    ACS Omega, Vol 8, Iss 45, Pp 42951-

    Synthesis and Structure–Activity Relationship

    2023  Volume 42965

    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2023-11-01T00:00:00Z
    Publisher American Chemical Society
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  2. Article ; Online: Machine Learning for Discovery of GSK3β Inhibitors

    Patricia A. Vignaux / Eni Minerali / Daniel H. Foil / Ana C. Puhl / Sean Ekins

    ACS Omega, Vol 5, Iss 41, Pp 26551-

    2020  Volume 26561

    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2020-10-01T00:00:00Z
    Publisher American Chemical Society
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  3. Article ; Online: Synthesis and Evaluation of 9‑Aminoacridines with SARS-CoV‑2 Antiviral Activity

    Thane Jones / Natalia Monakhova / Florence Guivel-Benhassine / Alexander Lepioshkin / Timothée Bruel / Thomas R. Lane / Olivier Schwartz / Ana C. Puhl / Vadim Makarov / Sean Ekins

    ACS Omega, Vol 8, Iss 43, Pp 40817-

    2023  Volume 40822

    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2023-10-01T00:00:00Z
    Publisher American Chemical Society
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  4. Article ; Online: Using Bibliometric Analysis and Machine Learning to Identify Compounds Binding to Sialidase‑1

    Jennifer J. Klein / Nancy C. Baker / Daniel H. Foil / Kimberley M. Zorn / Fabio Urbina / Ana C. Puhl / Sean Ekins

    ACS Omega, Vol 6, Iss 4, Pp 3186-

    2021  Volume 3193

    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2021-01-01T00:00:00Z
    Publisher American Chemical Society
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  5. Article ; Online: Correction to “Using Bibliometric Analysis and Machine Learning to Identify Compounds Binding to Sialidase-1”

    Jennifer J. Klein / Nancy C. Baker / Daniel H. Foil / Kimberley M. Zorn / Fabio Urbina / Ana C. Puhl / Sean Ekins

    ACS Omega, Vol 6, Iss 24, Pp 16253-

    2021  Volume 16253

    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2021-06-01T00:00:00Z
    Publisher American Chemical Society
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  6. Article ; Online: Structural dataset for the PPARγ V290M mutant

    Ana C. Puhl / Paul Webb / Igor Polikarpov

    Data in Brief, Vol 7, Iss , Pp 1430-

    2016  Volume 1437

    Abstract: Loss-of-function mutation V290M in the ligand-binding domain of the peroxisome proliferator activated receptor γ (PPARγ) is associated with a ligand resistance syndrome (PLRS), characterized by partial lipodystrophy and severe insulin resistance. In this ...

    Abstract Loss-of-function mutation V290M in the ligand-binding domain of the peroxisome proliferator activated receptor γ (PPARγ) is associated with a ligand resistance syndrome (PLRS), characterized by partial lipodystrophy and severe insulin resistance. In this data article we discuss an X-ray diffraction dataset that yielded the structure of PPARγ LBD V290M mutant refined at 2.3 Å resolution, that allowed building of 3D model of the receptor mutant with high confidence and revealed continuous well-defined electron density for the partial agonist diclofenac bound to hydrophobic pocket of the PPARγ. These structural data provide significant insights into molecular basis of PLRS caused by V290M mutation and are correlated with the receptor disability of rosiglitazone binding and increased affinity for corepressors. Furthermore, our structural evidence helps to explain clinical observations which point out to a failure to restore receptor function by the treatment with a full agonist of PPARγ, rosiglitazone. Keywords: Peroxisome proliferator activated receptor γ, Nuclear receptors, X-ray structureç ligand resistance syndrome
    Keywords Computer applications to medicine. Medical informatics ; R858-859.7 ; Science (General) ; Q1-390
    Subject code 616
    Language English
    Publishing date 2016-06-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  7. Article ; Online: Computational Approaches to Identify Molecules Binding to Mycobacterium tuberculosis KasA

    Ana C. Puhl / Thomas R. Lane / Patricia A. Vignaux / Kimberley M. Zorn / Glenn C. Capodagli / Matthew B. Neiditch / Joel S. Freundlich / Sean Ekins

    ACS Omega, Vol 5, Iss 46, Pp 29935-

    2020  Volume 29942

    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2020-11-01T00:00:00Z
    Publisher American Chemical Society
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  8. Article ; Online: Cross-species efficacy of enzyme replacement therapy for CLN1 disease in mice and sheep

    Hemanth R. Nelvagal / Samantha L. Eaton / Sophie H. Wang / Elizabeth M. Eultgen / Keigo Takahashi / Steven Q. Le / Rachel Nesbitt / Joshua T. Dearborn / Nicholas Siano / Ana C. Puhl / Patricia I. Dickson / Gerard Thompson / Fraser Murdoch / Paul M. Brennan / Mark Gray / Stephen N. Greenhalgh / Peter Tennant / Rachael Gregson / Eddie Clutton /
    James Nixon / Chris Proudfoot / Stefano Guido / Simon G. Lillico / C. Bruce A. Whitelaw / Jui-Yun Lu / Sandra L. Hofmann / Sean Ekins / Mark S. Sands / Thomas M. Wishart / Jonathan D. Cooper

    The Journal of Clinical Investigation, Vol 132, Iss

    2022  Volume 20

    Abstract: CLN1 disease, also called infantile neuronal ceroid lipofuscinosis (NCL) or infantile Batten disease, is a fatal neurodegenerative lysosomal storage disorder resulting from mutations in the CLN1 gene encoding the soluble lysosomal enzyme palmitoyl- ... ...

    Abstract CLN1 disease, also called infantile neuronal ceroid lipofuscinosis (NCL) or infantile Batten disease, is a fatal neurodegenerative lysosomal storage disorder resulting from mutations in the CLN1 gene encoding the soluble lysosomal enzyme palmitoyl-protein thioesterase 1 (PPT1). Therapies for CLN1 disease have proven challenging because of the aggressive disease course and the need to treat widespread areas of the brain and spinal cord. Indeed, gene therapy has proven less effective for CLN1 disease than for other similar lysosomal enzyme deficiencies. We therefore tested the efficacy of enzyme replacement therapy (ERT) by administering monthly infusions of recombinant human PPT1 (rhPPT1) to PPT1-deficient mice (Cln1–/–) and CLN1R151X sheep to assess how to potentially scale up for translation. In Cln1–/– mice, intracerebrovascular (i.c.v.) rhPPT1 delivery was the most effective route of administration, resulting in therapeutically relevant CNS levels of PPT1 activity. rhPPT1-treated mice had improved motor function, reduced disease-associated pathology, and diminished neuronal loss. In CLN1R151X sheep, i.c.v. infusions resulted in widespread rhPPT1 distribution and positive treatment effects measured by quantitative structural MRI and neuropathology. This study demonstrates the feasibility and therapeutic efficacy of i.c.v. rhPPT1 ERT. These findings represent a key step toward clinical testing of ERT in children with CLN1 disease and highlight the importance of a cross-species approach to developing a successful treatment strategy.
    Keywords Neuroscience ; Therapeutics ; Medicine ; R
    Language English
    Publishing date 2022-10-01T00:00:00Z
    Publisher American Society for Clinical Investigation
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  9. Article ; Online: Repurposing the Ebola and Marburg Virus Inhibitors Tilorone, Quinacrine, and Pyronaridine

    Ana C. Puhl / Ethan J. Fritch / Thomas R. Lane / Longping V. Tse / Boyd L. Yount / Carolina Q. Sacramento / Natalia Fintelman-Rodrigues / Tatyana Almeida Tavella / Fabio Trindade Maranhão Costa / Stuart Weston / James Logue / Matthew Frieman / Lakshmanane Premkumar / Kenneth H. Pearce / Brett L. Hurst / Carolina Horta Andrade / James A. Levi / Nicole J. Johnson / Samantha C. Kisthardt /
    Frank Scholle / Thiago Moreno L. Souza / Nathaniel John Moorman / Ralph S. Baric / Peter B. Madrid / Sean Ekins

    ACS Omega, Vol 6, Iss 11, Pp 7454-

    In Vitro Activity against SARS-CoV‑2 and Potential Mechanisms

    2021  Volume 7468

    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2021-03-01T00:00:00Z
    Publisher American Chemical Society
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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