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  1. Artikel ; Online: Informatics and Computational Approaches for the Discovery and Optimization of Natural Product-Inspired Inhibitors of the SARS-CoV-2 2'-

    Hanna, George S / Benjamin, Menny M / Choo, Yeun-Mun / De, Ramyani / Schinazi, Raymond F / Nielson, Sarah E / Hevel, Joan M / Hamann, Mark T

    Journal of natural products

    2024  Band 87, Heft 2, Seite(n) 217–227

    Abstract: The urgent need for new classes of orally available, safe, and effective antivirals─covering a breadth of emerging viruses─is evidenced by the loss of life and economic challenges created by the HIV-1 and SARS-CoV-2 pandemics. As frontline interventions, ...

    Abstract The urgent need for new classes of orally available, safe, and effective antivirals─covering a breadth of emerging viruses─is evidenced by the loss of life and economic challenges created by the HIV-1 and SARS-CoV-2 pandemics. As frontline interventions, small-molecule antivirals can be deployed prophylactically or postinfection to control the initial spread of outbreaks by reducing transmissibility and symptom severity. Natural products have an impressive track record of success as prototypic antivirals and continue to provide new drugs through synthesis, medicinal chemistry, and optimization decades after discovery. Here, we demonstrate an approach using computational analysis typically used for rational drug design to identify and develop natural product-inspired antivirals. This was done with the goal of identifying natural product prototypes to aid the effort of progressing toward safe, effective, and affordable broad-spectrum inhibitors of
    Mesh-Begriff(e) Humans ; SARS-CoV-2 ; COVID-19 ; Biological Products/pharmacology ; Informatics ; Antiviral Agents/pharmacology
    Chemische Substanzen Biological Products ; Antiviral Agents
    Sprache Englisch
    Erscheinungsdatum 2024-01-19
    Erscheinungsland United States
    Dokumenttyp Journal Article ; Research Support, N.I.H., Extramural
    ZDB-ID 304325-3
    ISSN 1520-6025 ; 0163-3864
    ISSN (online) 1520-6025
    ISSN 0163-3864
    DOI 10.1021/acs.jnatprod.3c00875
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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    Verfügbar in ZB MED Köln/Königswinter

    Zs.A 1144: Hefte anzeigen Standort:
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    Jg. 1995 - 2021: Lesesall (1.OG)
    ab Jg. 2022: Lesesaal (EG)

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  2. Artikel: Non-enzymatic glycoxidation linked with nutrition enhances the tumorigenic capacity of prostate cancer epithelia through AGE mediated activation of RAGE in cancer associated fibroblasts.

    Krisanits, Bradley A / Woods, Pamela / Nogueira, Lourdes M / Woolfork, Demarcus D / Lloyd, Courtney E / Baldwin, Andrew / Frye, Callan C / Peterson, Kendell D / Cosh, Sean D / Guo, Qi-Jin / Spruill, Laura S / Lilly, Michael B / Helke, Kristi / Li, Hong / Hanna, George S / Hamann, Mark T / Thomas, Courtney / Ahmed, Mahtabuddin / Gooz, Monika B /
    Findlay, Victoria J / Turner, David P

    Translational oncology

    2022  Band 17, Seite(n) 101350

    Abstract: The molecular implications of food consumption on cancer etiology are poorly defined. The rate of nutrition associated non-enzymatic glycoxidation, a reaction that occurs between reactive carbonyl groups on linear sugars and nucleophilic amino, lysyl and ...

    Abstract The molecular implications of food consumption on cancer etiology are poorly defined. The rate of nutrition associated non-enzymatic glycoxidation, a reaction that occurs between reactive carbonyl groups on linear sugars and nucleophilic amino, lysyl and arginyl groups on fats and proteins, is rapidly increased by food cooking and manufacturing processes. In this study, we assign nutrition-associated glycoxidation with significant oncogenic potential, promoting prostate tumor growth, progression, and metastasis in vivo. Advanced glycation end products (AGEs) are the final irreversible product of non-enzymatic glycoxidation. Exogenous treatment of prostate tumor cells with a single AGE peptide replicated glycoxidation induced tumor growth in vivo. Mechanistically, receptor for AGE (RAGE) deficiency in the stroma inhibited AGE mediated tumor growth. Functionally, AGE treatment induced RAGE dimerization in activated fibroblasts which sustained and increased the migratory potential of tumor epithelial cells. These data identify a novel nutrition associated pathway that can promote a tissue microenvironment conducive for aggressive tumor growth. Targeted and/or interventional strategies aimed at reducing AGE bioavailability as a consequence of nutrition may be viewed as novel chemoprevention initiatives.
    Sprache Englisch
    Erscheinungsdatum 2022-01-25
    Erscheinungsland United States
    Dokumenttyp Journal Article
    ZDB-ID 2443840-6
    ISSN 1936-5233
    ISSN 1936-5233
    DOI 10.1016/j.tranon.2022.101350
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  3. Artikel: Contemporary Approaches to the Discovery and Development of Broad-Spectrum Natural Product Prototypes for the Control of Coronaviruses

    Hanna, George S. / Choo, Yeun-Mun / Harbit, Ryan / Paeth, Heather / Wilde, Sarah / Mackle, James / Verga, Jacopo-Umberto / Wolf, Bethany J. / Thomas, Olivier P. / Croot, Peter / Cray, James / Thomas, Courtney / Li, Ling-Zhi / Hardiman, Gary / Hu, Jin-Feng / Wang, Xiaojuan / Patel, Dharmeshkumar / Schinazi, Raymond F. / O’Keefe, Barry R. /
    Hamann, Mark T.

    Journal of natural products. 2021 Oct. 22, v. 84, no. 11

    2021  

    Abstract: The pressing need for SARS-CoV-2 controls has led to a reassessment of strategies to identify and develop natural product inhibitors of zoonotic, highly virulent, and rapidly emerging viruses. This review article addresses how contemporary approaches ... ...

    Abstract The pressing need for SARS-CoV-2 controls has led to a reassessment of strategies to identify and develop natural product inhibitors of zoonotic, highly virulent, and rapidly emerging viruses. This review article addresses how contemporary approaches involving computational chemistry, natural product (NP) and protein databases, and mass spectrometry (MS) derived target–ligand interaction analysis can be utilized to expedite the interrogation of NP structures while minimizing the time and expense of extraction, purification, and screening in BioSafety Laboratories (BSL)3 laboratories. The unparalleled structural diversity and complexity of NPs is an extraordinary resource for the discovery and development of broad-spectrum inhibitors of viral genera, including Betacoronavirus, which contains MERS, SARS, SARS-CoV-2, and the common cold. There are two key technological advances that have created unique opportunities for the identification of NP prototypes with greater efficiency: (1) the application of structural databases for NPs and target proteins and (2) the application of modern MS techniques to assess protein–ligand interactions directly from NP extracts. These approaches, developed over years, now allow for the identification and isolation of unique antiviral ligands without the immediate need for BSL3 facilities. Overall, the goal is to improve the success rate of NP-based screening by focusing resources on source materials with a higher likelihood of success, while simultaneously providing opportunities for the discovery of novel ligands to selectively target proteins involved in viral infection.
    Schlagwörter Severe acute respiratory syndrome coronavirus 2 ; biosafety ; chemistry ; common cold ; ligands ; mass spectrometry ; virulence
    Sprache Englisch
    Erscheinungsverlauf 2021-1022
    Umfang p. 3001-3007.
    Erscheinungsort American Chemical Society and American Society of Pharmacognosy
    Dokumenttyp Artikel
    ZDB-ID 304325-3
    ISSN 1520-6025 ; 0163-3864
    ISSN (online) 1520-6025
    ISSN 0163-3864
    DOI 10.1021/acs.jnatprod.1c00625
    Datenquelle NAL Katalog (AGRICOLA)

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    Verfügbar in ZB MED Köln/Königswinter

    Zs.A 1144: Hefte anzeigen Standort:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (1.OG)
    ab Jg. 2022: Lesesaal (EG)

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  4. Artikel ; Online: Contemporary Approaches to the Discovery and Development of Broad-Spectrum Natural Product Prototypes for the Control of Coronaviruses.

    Hanna, George S / Choo, Yeun-Mun / Harbit, Ryan / Paeth, Heather / Wilde, Sarah / Mackle, James / Verga, Jacopo-Umberto / Wolf, Bethany J / Thomas, Olivier P / Croot, Peter / Cray, James / Thomas, Courtney / Li, Ling-Zhi / Hardiman, Gary / Hu, Jin-Feng / Wang, Xiaojuan / Patel, Dharmeshkumar / Schinazi, Raymond F / O'Keefe, Barry R /
    Hamann, Mark T

    Journal of natural products

    2021  Band 84, Heft 11, Seite(n) 3001–3007

    Abstract: The pressing need for SARS-CoV-2 controls has led to a reassessment of strategies to identify and develop natural product inhibitors of zoonotic, highly virulent, and rapidly emerging viruses. This review article addresses how contemporary approaches ... ...

    Abstract The pressing need for SARS-CoV-2 controls has led to a reassessment of strategies to identify and develop natural product inhibitors of zoonotic, highly virulent, and rapidly emerging viruses. This review article addresses how contemporary approaches involving computational chemistry, natural product (NP) and protein databases, and mass spectrometry (MS) derived target-ligand interaction analysis can be utilized to expedite the interrogation of NP structures while minimizing the time and expense of extraction, purification, and screening in BioSafety Laboratories (BSL)3 laboratories. The unparalleled structural diversity and complexity of NPs is an extraordinary resource for the discovery and development of broad-spectrum inhibitors of viral genera, including
    Mesh-Begriff(e) Antiviral Agents/pharmacology ; Betacoronavirus/drug effects ; Biological Products/pharmacology ; Computational Biology ; Databases, Chemical ; Databases, Protein ; Drug Discovery ; Ligands ; Mass Spectrometry ; Protein Interaction Mapping ; SARS-CoV-2/drug effects
    Chemische Substanzen Antiviral Agents ; Biological Products ; Ligands
    Sprache Englisch
    Erscheinungsdatum 2021-10-22
    Erscheinungsland United States
    Dokumenttyp Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
    ZDB-ID 304325-3
    ISSN 1520-6025 ; 0163-3864
    ISSN (online) 1520-6025
    ISSN 0163-3864
    DOI 10.1021/acs.jnatprod.1c00625
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

    Zusatzmaterialien

    Kategorien

    Verfügbar in ZB MED Köln/Königswinter

    Zs.A 1144: Hefte anzeigen Standort:
    Je nach Verfügbarkeit (siehe Angabe bei Bestand)
    bis Jg. 1994: Bestellungen von Artikeln über das Online-Bestellformular
    Jg. 1995 - 2021: Lesesall (1.OG)
    ab Jg. 2022: Lesesaal (EG)

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    Dieser Service ist kostenpflichtig (siehe Lieferbedingungen von subito). Bestellungen, die einen Artikel nebst Supplementary Material umfassen, werden grundsätzlich wie mehrfache Bestellungen bearbeitet. Gebühren fallen in diesen Fällen für jede einzelne Bestellung an.

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