LIVIVO - The Search Portal for Life Sciences

zur deutschen Oberfläche wechseln
Advanced search

Search results

Result 1 - 6 of total 6

Search options

  1. Article ; Online: A SARS-CoV-2 cytopathicity dataset generated by high-content screening of a large drug repurposing collection

    Bernhard Ellinger / Denisa Bojkova / Andrea Zaliani / Jindrich Cinatl / Carsten Claussen / Sandra Westhaus / Oliver Keminer / Jeanette Reinshagen / Maria Kuzikov / Markus Wolf / Gerd Geisslinger / Philip Gribbon / Sandra Ciesek

    Scientific Data, Vol 8, Iss 1, Pp 1-

    2021  Volume 10

    Abstract: Measurement(s) cytotoxicity • killing by virus of host cell Technology Type(s) bright-field microscopy Factor Type(s) concentration • incubation time Sample Characteristic - Organism Homo sapiens Machine-accessible metadata file describing the reported ... ...

    Abstract Measurement(s) cytotoxicity • killing by virus of host cell Technology Type(s) bright-field microscopy Factor Type(s) concentration • incubation time Sample Characteristic - Organism Homo sapiens Machine-accessible metadata file describing the reported data: https://doi.org/10.6084/m9.figshare.13562570
    Keywords Science ; Q
    Language English
    Publishing date 2021-02-01T00:00:00Z
    Publisher Nature Portfolio
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

    Full text online

    More links

    Kategorien

    Inter-library loan at ZB MED

    Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

  2. Article ; Online: Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L

    Elisa Costanzi / Maria Kuzikov / Francesca Esposito / Simone Albani / Nicola Demitri / Barbara Giabbai / Marianna Camasta / Enzo Tramontano / Giulia Rossetti / Andrea Zaliani / Paola Storici

    International Journal of Molecular Sciences, Vol 22, Iss 11779, p

    2021  Volume 11779

    Abstract: After almost two years from its first evidence, the COVID-19 pandemic continues to afflict people worldwide, highlighting the need for multiple antiviral strategies. SARS-CoV-2 main protease (Mpro/3CLpro) is a recognized promising target for the ... ...

    Abstract After almost two years from its first evidence, the COVID-19 pandemic continues to afflict people worldwide, highlighting the need for multiple antiviral strategies. SARS-CoV-2 main protease (Mpro/3CLpro) is a recognized promising target for the development of effective drugs. Because single target inhibition might not be sufficient to block SARS-CoV-2 infection and replication, multi enzymatic-based therapies may provide a better strategy. Here we present a structural and biochemical characterization of the binding mode of MG-132 to both the main protease of SARS-CoV-2, and to the human Cathepsin-L, suggesting thus an interesting scaffold for the development of double-inhibitors. X-ray diffraction data show that MG-132 well fits into the Mpro active site, forming a covalent bond with Cys145 independently from reducing agents and crystallization conditions. Docking of MG-132 into Cathepsin-L well-matches with a covalent binding to the catalytic cysteine. Accordingly, MG-132 inhibits Cathepsin-L with nanomolar potency and reversibly inhibits Mpro with micromolar potency, but with a prolonged residency time. We compared the apo and MG-132-inhibited structures of Mpro solved in different space groups and we identified a new apo structure that features several similarities with the inhibited ones, offering interesting perspectives for future drug design and in silico efforts.
    Keywords SARS-CoV-2 ; Mpro/3CLPro ; Cathepsin-L ; peptidomimetics ; MG-132 ; dual target inhibitor ; Biology (General) ; QH301-705.5 ; Chemistry ; QD1-999
    Subject code 540
    Language English
    Publishing date 2021-10-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

    Full text online

    More links

    Kategorien

    Inter-library loan at ZB MED

    Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

  3. Article ; Online: Design, Synthesis and Antiparasitic Evaluation of Click Phospholipids

    George E. Magoulas / Pantelis Afroudakis / Kalliopi Georgikopoulou / Marina Roussaki / Chiara Borsari / Theano Fotopoulou / Nuno Santarem / Emile Barrias / Paloma Tejera Nevado / Julia Hachenberg / Eugenia Bifeld / Bernhard Ellinger / Maria Kuzikov / Irini Fragiadaki / Effie Scoulica / Joachim Clos / Sheraz Gul / Maria Paola Costi / Wanderley de Souza /
    Kyriakos C. Prousis / Anabela Cordeiro da Silva / Theodora Calogeropoulou

    Molecules, Vol 26, Iss 4204, p

    2021  Volume 4204

    Abstract: A library of seventeen novel ether phospholipid analogues, containing 5-membered heterocyclic rings (1,2,3-triazolyl, isoxazolyl, 1,3,4-oxadiazolyl and 1,2,4-oxadiazolyl) in the lipid portion were designed and synthesized aiming to identify optimised ... ...

    Abstract A library of seventeen novel ether phospholipid analogues, containing 5-membered heterocyclic rings (1,2,3-triazolyl, isoxazolyl, 1,3,4-oxadiazolyl and 1,2,4-oxadiazolyl) in the lipid portion were designed and synthesized aiming to identify optimised miltefosine analogues. The compounds were evaluated for their in vitro antiparasitic activity against Leishmania infantum and Leishmania donovani intracellular amastigotes, against Trypanosoma brucei brucei and against different developmental stages of Trypanosoma cruzi . The nature of the substituents of the heterocyclic ring (tail) and the oligomethylene spacer between the head group and the heterocyclic ring was found to affect the activity and toxicity of these compounds leading to a significantly improved understanding of their structure–activity relationships. The early ADMET profile of the new derivatives did not reveal major liabilities for the potent compounds. The 1,2,3-triazole derivative 27 substituted by a decyl tail, an undecyl spacer and a choline head group exhibited broad spectrum antiparasitic activity. It possessed low micromolar activity against the intracellular amastigotes of two L. infantum strains and T. cruzi Y strain epimastigotes, intracellular amastigotes and trypomastigotes, while its cytotoxicity concentration (CC 50 ) against THP-1 macrophages ranged between 50 and 100 μM. Altogether, our work paves the way for the development of improved ether phospholipid derivatives to control neglected tropical diseases.
    Keywords ether phospholipids ; heterocyclic rings ; antiparasitic activity ; Leishmania infantum ; Leishmania donovani ; Trypanosoma brucei ; Organic chemistry ; QD241-441
    Subject code 540
    Language English
    Publishing date 2021-07-01T00:00:00Z
    Publisher MDPI AG
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

    Full text online

    More links

    Kategorien

    Inter-library loan at ZB MED

    Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

  4. Article ; Online: Corrigendum to “Machine Learning Based Prediction of COVID-19 Mortality Suggests Repositioning of Anticancer Drug for Treating Severe Cases”[Artificial Intelligence in Life Sciences] 1(2021), 100020

    Thomas Linden / Frank Hanses / Daniel Domingo-Fernández / Lauren Nicole DeLong / Alpha Tom Kodamullil / Jochen Schneider / Maria J.G.T. Vehreschild / Julia Lanznaster / Maria Madeleine Ruethrich / Stefan Borgmann / Martin Hower / Kai Wille / Torsten Feldt / Siegbert Rieg / Bernd Hertenstein / Christoph Wyen / Christoph Roemmele / Jörg Janne Vehreschild / Carolin E.M. Jakob /
    Melanie Stecher / Maria Kuzikov / Andrea Zaliani / Holger Fröhlich

    Artificial Intelligence in the Life Sciences, Vol 2, Iss , Pp 100032- (2022)

    2022  

    Keywords Science (General) ; Q1-390
    Language English
    Publishing date 2022-12-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

    Full text online

    More links

    Kategorien

    Inter-library loan at ZB MED

    Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

  5. Article ; Online: Machine Learning Based Prediction of COVID-19 Mortality Suggests Repositioning of Anticancer Drug for Treating Severe Cases

    Thomas Linden / Frank Hanses / Daniel Domingo-Fernández / Lauren Nicole DeLong / Alpha Tom Kodamullil / Jochen Schneider / Maria J.G.T. Vehreschild / Julia Lanznaster / Maria Madeleine Ruethrich / Stefan Borgmann / Martin Hower / Kai Wille / Torsten Feldt / Siegbert Rieg / Bernd Hertenstein / Christoph Wyen / Christoph Roemmele / Jörg Janne Vehreschild / Carolin E.M. Jakob /
    Melanie Stecher / Maria Kuzikov / Andrea Zaliani / Holger Fröhlich

    Artificial Intelligence in the Life Sciences, Vol 1, Iss , Pp 100020- (2021)

    2021  

    Abstract: Despite available vaccinations COVID-19 case numbers around the world are still growing, and effective medications against severe cases are lacking. In this work, we developed a machine learning model which predicts mortality for COVID-19 patients using ... ...

    Abstract Despite available vaccinations COVID-19 case numbers around the world are still growing, and effective medications against severe cases are lacking. In this work, we developed a machine learning model which predicts mortality for COVID-19 patients using data from the multi-center ‘Lean European Open Survey on SARS-CoV-2-infected patients’ (LEOSS) observational study (>100 active sites in Europe, primarily in Germany), resulting into an AUC of almost 80%. We showed that molecular mechanisms related to dementia, one of the relevant predictors in our model, intersect with those associated to COVID-19. Most notably, among these molecules was tyrosine kinase 2 (TYK2), a protein that has been patented as drug target in Alzheimer's Disease but also genetically associated with severe COVID-19 outcomes. We experimentally verified that anti-cancer drugs Sorafenib and Regorafenib showed a clear anti-cytopathic effect in Caco2 and VERO-E6 cells and can thus be regarded as potential treatments against COVID-19. Altogether, our work demonstrates that interpretation of machine learning based risk models can point towards drug targets and new treatment options, which are strongly needed for COVID-19.
    Keywords Machine learning ; Explainable ai ; Precision medicine ; Covid19 ; Drug repositioning ; Science (General) ; Q1-390
    Subject code 006
    Language English
    Publishing date 2021-12-01T00:00:00Z
    Publisher Elsevier
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

    Full text online

    More links

    Kategorien

    Inter-library loan at ZB MED

    Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

  6. Article ; Online: Exploiting the 2‑Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery

    Pasquale Linciano / Alice Dawson / Ina Pöhner / David M. Costa / Monica S. Sá / Anabela Cordeiro-da-Silva / Rosaria Luciani / Sheraz Gul / Gesa Witt / Bernhard Ellinger / Maria Kuzikov / Philip Gribbon / Jeanette Reinshagen / Markus Wolf / Birte Behrens / Véronique Hannaert / Paul A. M. Michels / Erika Nerini / Cecilia Pozzi /
    Flavio di Pisa / Giacomo Landi / Nuno Santarem / Stefania Ferrari / Puneet Saxena / Sandra Lazzari / Giuseppe Cannazza / Lucio H. Freitas-Junior / Carolina B. Moraes / Bruno S. Pascoalino / Laura M. Alcântara / Claudia P. Bertolacini / Vanessa Fontana / Ulrike Wittig / Wolfgang Müller / Rebecca C. Wade / William N. Hunter / Stefano Mangani / Luca Costantino / Maria P. Costi

    ACS Omega, Vol 2, Iss 9, Pp 5666-

    2017  Volume 5683

    Keywords Chemistry ; QD1-999
    Language English
    Publishing date 2017-09-01T00:00:00Z
    Publisher American Chemical Society
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

    Full text online

    More links

    Kategorien

    Inter-library loan at ZB MED

    Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

To top