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  1. Article: In silico investigation of saponins and tannins as potential inhibitors of SARS-CoV-2 main protease (M

    Falade, Victoria Adeola / Adelusi, Temitope Isaac / Adedotun, Ibrahim Olaide / Abdul-Hammed, Misbaudeen / Lawal, Teslim Alabi / Agboluaje, Saheed Alabi

    In silico pharmacology

    2021  Volume 9, Issue 1, Page(s) 9

    Abstract: It is no longer news that a novel strain of coronavirus named SARS-CoV-2 is ravaging the health sector worldwide, several attempts have been made to curtail this pandemic via repurposing of old drugs but at the present, available drugs are not adequately ...

    Abstract It is no longer news that a novel strain of coronavirus named SARS-CoV-2 is ravaging the health sector worldwide, several attempts have been made to curtail this pandemic via repurposing of old drugs but at the present, available drugs are not adequately effective. Over the years, plant phytochemicals are increasingly becoming alternative sources of antimicrobial agents with novel mechanisms of action and limited side effects compared to synthetic drugs. Isolated saponins and tannins were evaluated for antiviral activity against SARS-CoV-2 (M
    Language English
    Publishing date 2021-01-06
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2702993-1
    ISSN 2193-9616
    ISSN 2193-9616
    DOI 10.1007/s40203-020-00071-w
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article: Target-based drug discovery, ADMET profiling and bioactivity studies of antibiotics as potential inhibitors of SARS-CoV-2 main protease (M

    Abdul-Hammed, Misbaudeen / Adedotun, Ibrahim Olaide / Falade, Victoria Adeola / Adepoju, Adewusi John / Olasupo, Sabitu Babatunde / Akinboade, Modinat Wuraola

    Virusdisease

    2021  Volume 32, Issue 4, Page(s) 642–656

    Abstract: A recent outbreak of a new strain of Coronavirus (SARS-CoV-2) has become a global health burden, which has resulted in deaths. No proven drug has been found to effectively cure this fast-spreading infection, hence the need to explore old drugs with the ... ...

    Abstract A recent outbreak of a new strain of Coronavirus (SARS-CoV-2) has become a global health burden, which has resulted in deaths. No proven drug has been found to effectively cure this fast-spreading infection, hence the need to explore old drugs with the known profile in tackling this pandemic. A computer-aided drug design approach involving virtual screening was used to obtain the binding scores and inhibiting efficiencies of previously known antibiotics against SARS-CoV-2 main protease (M
    Language English
    Publishing date 2021-07-01
    Publishing country India
    Document type Journal Article
    ZDB-ID 2846993-8
    ISSN 2347-3517 ; 2347-3584
    ISSN (online) 2347-3517
    ISSN 2347-3584
    DOI 10.1007/s13337-021-00717-z
    Database MEDical Literature Analysis and Retrieval System OnLINE

    Full text online

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  3. Article: Target-based drug discovery, ADMET profiling and bioactivity studies of antibiotics as potential inhibitors of SARS-CoV-2 main protease (Mpro)

    Abdul-Hammed, Misbaudeen / Adedotun, Ibrahim Olaide / Falade, Victoria Adeola / Adepoju, Adewusi John / Olasupo, Sabitu Babatunde / Akinboade, Modinat Wuraola

    Virusdisease. 2021 Dec., v. 32, no. 4

    2021  

    Abstract: A recent outbreak of a new strain of Coronavirus (SARS-CoV-2) has become a global health burden, which has resulted in deaths. No proven drug has been found to effectively cure this fast-spreading infection, hence the need to explore old drugs with the ... ...

    Abstract A recent outbreak of a new strain of Coronavirus (SARS-CoV-2) has become a global health burden, which has resulted in deaths. No proven drug has been found to effectively cure this fast-spreading infection, hence the need to explore old drugs with the known profile in tackling this pandemic. A computer-aided drug design approach involving virtual screening was used to obtain the binding scores and inhibiting efficiencies of previously known antibiotics against SARS-CoV-2 main protease (Mᵖʳᵒ). The drug-likeness analysis of the repurposed drugs were done using the Molinspiration chemoinformatics tool, while the Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) analysis was carried out using ADMET SAR-2 webserver. Other analyses performed include bioactivities of the repurposed drug as a probable anti-SARS-CoV-2 agent and oral bioavailability analyses among others. The results were compared with those of drugs currently involved in clinical trials in the ongoing pandemic. Although antibiotics have been speculated to be of no use in the treatment of viral infections, literature has emerged lately to reveal the antiviral potential and immune-boosting ability of antibiotics. This study identified Tarivid and Ciprofloxacin with binding affinities of − 8.3 kcal/mol and − 8.1 kcal/mol, respectively as significant inhibitors of SARS-CoV-2 (Mᵖʳᵒ) with better pharmacokinetics, drug-likeness and oral bioavailability, bioactivity properties, ADMET properties and inhibitory strength compared to Remdesivir (− 7.6 kcal/mol) and Azithromycin (− 6.3 kcal/mol). These observations will provide insight for further research (clinical trial) in the cure and management of COVID-19.
    Keywords COVID-19 infection ; Severe acute respiratory syndrome coronavirus 2 ; absorption ; azithromycin ; bioavailability ; chemoinformatics ; ciprofloxacin ; clinical trials ; drug design ; excretion ; pandemic ; pharmacokinetics ; proteinases ; toxicity
    Language English
    Dates of publication 2021-12
    Size p. 642-656.
    Publishing place Springer India
    Document type Article
    ZDB-ID 2846993-8
    ISSN 2347-3517 ; 2347-3584
    ISSN (online) 2347-3517
    ISSN 2347-3584
    DOI 10.1007/s13337-021-00717-z
    Database NAL-Catalogue (AGRICOLA)

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    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

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