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  1. Article ; Online: Exploring the phytochemicals of

    Gurung, Arun Bahadur / Ali, Mohammad Ajmal / Lee, Joongku / Aljowaie, Reem M / Almutairi, Saeedah M

    Journal of King Saud University. Science

    2022  Volume 34, Issue 6, Page(s) 102155

    Abstract: Platycodon ... ...

    Abstract Platycodon grandiflorus
    Language English
    Publishing date 2022-06-09
    Publishing country Saudi Arabia
    Document type Journal Article
    ISSN 2213-686X
    ISSN (online) 2213-686X
    DOI 10.1016/j.jksus.2022.102155
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Masitinib analogues with the

    Gurung, Arun Bahadur / Ali, Mohammad Ajmal / Aljowaie, Reem M / Almutairi, Saeedah M / Sami, Hiba / Lee, Joongku

    Journal of King Saud University. Science

    2022  Volume 35, Issue 1, Page(s) 102397

    Abstract: Masitinib is an orally acceptable tyrosine kinase inhibitor that is currently investigated under clinical trials against cancer, asthma, Alzheimer's disease, multiple sclerosis and amyotrophic lateral sclerosis. A recent study confirmed the anti-severe ... ...

    Abstract Masitinib is an orally acceptable tyrosine kinase inhibitor that is currently investigated under clinical trials against cancer, asthma, Alzheimer's disease, multiple sclerosis and amyotrophic lateral sclerosis. A recent study confirmed the anti-severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) activity of masitinib through inhibition of the main protease (M
    Language English
    Publishing date 2022-10-31
    Publishing country Saudi Arabia
    Document type Journal Article
    ISSN 2213-686X
    ISSN (online) 2213-686X
    DOI 10.1016/j.jksus.2022.102397
    Database MEDical Literature Analysis and Retrieval System OnLINE

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    Inter-library loan at ZB MED

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  3. Article ; Online: Potential of antiviral peptide-based SARS-CoV-2 inactivators to combat COVID-19.

    Gurung, Arun Bahadur / Ali, Mohammad Ajmal / Lee, Joongku / El-Zaidy, Mohamed / Aljowaie, Reem M / Almutairi, Saeedah M

    publication RETRACTED

    PloS one

    2022  Volume 17, Issue 6, Page(s) e0268919

    Abstract: The appearance of new variants of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and the lack of effective antiviral therapeutics for coronavirus disease 2019 (COVID-19), a highly infectious disease caused by the virus, demands the search ... ...

    Abstract The appearance of new variants of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and the lack of effective antiviral therapeutics for coronavirus disease 2019 (COVID-19), a highly infectious disease caused by the virus, demands the search for alternative therapies. Most antiviral drugs known are passive defenders which must enter the cell to execute their function and suffer from concerns such as permeability and effectiveness, therefore in this current study, we aim to identify peptide inactivators that can act without entering the cells. SARS-CoV-2 spike protein is an essential protein that plays a major role in binding to the host receptor angiotensin-converting enzyme 2 and mediates the viral cell membrane fusion process. SARS vaccines and treatments have also been developed with the spike protein as a target. The virtual screening experiment revealed antiviral peptides which were found to be non-allergen, non-toxic and possess good water solubility. U-1, GST-removed-HR2 and HR2-18 exhibit binding energies of -47.8 kcal/mol, -43.01 kcal/mol, and -40.46 kcal/mol, respectively. The complexes between these peptides and spike protein were stabilized through hydrogen bonds as well as hydrophobic interactions. The stability of the top-ranked peptide with the drug-receptor is evidenced by 50-ns molecular dynamics (MD) simulations. The binding of U-1 induces conformational changes in the spike protein with alterations in its geometric properties such as increased flexibility, decreased compactness, the increased surface area exposed to solvent molecules, and an increase in the number of total hydrogen bonds leading to its probable inactivation. Thus, the identified antiviral peptides can be used as anti-SARS-CoV-2 candidates, inactivating the virus's spike proteins and preventing it from infecting host cells.
    MeSH term(s) Antiviral Agents/chemistry ; Antiviral Agents/pharmacology ; Antiviral Agents/therapeutic use ; COVID-19/drug therapy ; Humans ; Molecular Docking Simulation ; Peptides/metabolism ; Peptides/pharmacology ; Protein Binding ; SARS-CoV-2 ; Spike Glycoprotein, Coronavirus/chemistry
    Chemical Substances Antiviral Agents ; Peptides ; Spike Glycoprotein, Coronavirus ; spike protein, SARS-CoV-2
    Language English
    Publishing date 2022-06-03
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't ; Retracted Publication
    ZDB-ID 2267670-3
    ISSN 1932-6203 ; 1932-6203
    ISSN (online) 1932-6203
    ISSN 1932-6203
    DOI 10.1371/journal.pone.0268919
    Database MEDical Literature Analysis and Retrieval System OnLINE

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