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  1. Article ; Online: Potential bioactive glycosylated flavonoids as SARS-CoV-2 main protease inhibitors

    Sabri Ahmed Cherrak / Hafida Merzouk / Nassima Mokhtari-Soulimane

    PLoS ONE, Vol 15, Iss 10, p e

    A molecular docking and simulation studies.

    2020  Volume 0240653

    Abstract: A novel coronavirus responsible of acute respiratory infection closely related to SARS-CoV has recently emerged. So far there is no consensus for drug treatment to stop the spread of the virus. Discovery of a drug that would limit the virus expansion is ... ...

    Abstract A novel coronavirus responsible of acute respiratory infection closely related to SARS-CoV has recently emerged. So far there is no consensus for drug treatment to stop the spread of the virus. Discovery of a drug that would limit the virus expansion is one of the biggest challenges faced by the humanity in the last decades. In this perspective, to test existing drugs as inhibitors of SARS-CoV-2 main protease is a good approach. Among natural phenolic compounds found in plants, fruit, and vegetables; flavonoids are the most abundant. Flavonoids, especially in their glycosylated forms, display a number of physiological activities, which makes them interesting to investigate as antiviral molecules. The flavonoids chemical structures were downloaded from PubChem and protease structure 6LU7 was from the Protein Data Bank site. Molecular docking study was performed using AutoDock Vina. Among the tested molecules Quercetin-3-O-rhamnoside showed the highest binding affinity (-9,7 kcal/mol). Docking studies showed that glycosylated flavonoids are good inhibitors for the SARS-CoV-2 protease and could be further investigated by in vitro and in vivo experiments for further validation. MD simulations were further performed to evaluate the dynamic behavior and stability of the protein in complex with the three best hits of docking experiments. Our results indicate that the rutin is a potential drug to inhibit the function of Chymotrypsin-like protease (3CL pro) of Coronavirus.
    Keywords Medicine ; R ; Science ; Q
    Subject code 540
    Language English
    Publishing date 2020-01-01T00:00:00Z
    Publisher Public Library of Science (PLoS)
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  2. Book ; Online: Potential Bioactive glycosylated flavonoids as SARS-CoV-2 Main protease Inhibitors

    cherrak, sabri ahmed / hafida, merzouk / nassima, mokhtari soulimane

    A molecular Docking Study

    2020  

    Abstract: A novel (COVID-19) responsible of acute respiratory infection closely related to SARS-CoV has recently emerged. So far there is no consensus for drug treatment to stop the spread of the virus. Discovery of a drug that would limit the virus expansion is ... ...

    Abstract A novel (COVID-19) responsible of acute respiratory infection closely related to SARS-CoV has recently emerged. So far there is no consensus for drug treatment to stop the spread of the virus. Discovery of a drug that would limit the virus expansion is one of the biggest challenges faced by the humanity in the last decades. In this perspective, testing existing drugs as inhibitors of the main COVID-19 protease is a good approach.Among natural phenolic compounds found in plants, fruit, and vegetables; flavonoids are the most abundant. Flavonoids, especially in their glycosylated forms, display a number of physiological activities, which makes them interesting to investigate as antiviral molecules.The flavonoids chemical structures were downloaded from PubChem and protease structure 6lu7 was from the Protein Data Bank site. Molecular docking study was performed using AutoDock Vina. Among the tested molecules Quercetin-3-O-rhamnoside showed the highest binding affinity (-9,7 kcal/mol). Docking studies showed that glycosylated flavonoids are good inhibitors for the covid-19 protease and could be further investigated by in vitro and in vivo experiments for further validation.
    Keywords covid19
    Publisher Center for Open Science
    Publishing country us
    Document type Book ; Online
    DOI 10.31219/osf.io/k4h5f
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  3. Article ; Online: Metabolic status of 1088 patients after renal transplantation

    Lyece Yargui / Houria Chettouh / Hamama Boukni / Nassima Mokhtari / Arezki Berhoune

    Saudi Journal of Kidney Diseases and Transplantation, Vol 25, Iss 1, Pp 177-

    Assessment of twelve years monitoring in Algiers Mustapha Hospital

    2014  Volume 184

    Abstract: Since the introduction of monitoring levels of immunosuppressive medications in our service in July 2000, 1088 kidney transplant patients were received for therapeutic drug monitoring and regular follow-up. The aim of this study was to retrospectively ... ...

    Abstract Since the introduction of monitoring levels of immunosuppressive medications in our service in July 2000, 1088 kidney transplant patients were received for therapeutic drug monitoring and regular follow-up. The aim of this study was to retrospectively analyze the data on these renal graft patients in Algeria and correlate with our 12 years′ experience with calcineurin inhibitor (CNI) measurements. In addition, during this period, we also examined other bioche-mical parameters. The analysis was focused on the difference of effect of cyclosporin A (CsA; 623 patients) and Tacrolimus (Tac; 465 patients) on lipid and glucose metabolism and their side-effects, if any, on the renal function. The mean age at the time of transplantation was 36.1 years. A great majority of the transplanted kidneys had been taken from living related donors (88.6%). Three-quarters of all grafts were transplanted in our country (79.5%). Dyslipidemia and renal dysfunction were the most common adverse effects of CsA and Tac exposure, with a frequency of 21.4% and 10.3%, respectively. Both the CNIs had a similar effect on the lipid levels. The highest incidence occurred at 3-12 months after renal graft. Tac seemed to have more side-effects on glycemia, causing the onset of diabetes mellitus more than two-fold than CsA (6.9% vs. 3.1%). A significant difference was observed during 12-24 months after transplantation. However, Tac was associated with the most favorable effects on renal function estimated with the Modification of Diet in Renal Disease (MDRD) formula.
    Keywords Medicine ; R
    Subject code 616
    Language English
    Publishing date 2014-01-01T00:00:00Z
    Publisher Wolters Kluwer Medknow Publications
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  4. Article ; Online: In Vitro Antioxidant versus Metal Ion Chelating Properties of Flavonoids

    Sabri Ahmed Cherrak / Nassima Mokhtari-Soulimane / Farid Berroukeche / Bachir Bensenane / Angéline Cherbonnel / Hafida Merzouk / Mourad Elhabiri

    PLoS ONE, Vol 11, Iss 10, p e

    A Structure-Activity Investigation.

    2016  Volume 0165575

    Abstract: Natural flavonoids such as quercetin, (+)catechin and rutin as well as four methoxylated derivatives of quercetin used as models were investigated to elucidate their impact on the oxidant and antioxidant status of human red blood cells (RBCs). The impact ...

    Abstract Natural flavonoids such as quercetin, (+)catechin and rutin as well as four methoxylated derivatives of quercetin used as models were investigated to elucidate their impact on the oxidant and antioxidant status of human red blood cells (RBCs). The impact of these compounds against metal toxicity was studied as well as their antiradical activities with DPPH assay. Antihemolytic experiments were conducted on quercetin, (+)catechin and rutin with excess of Fe, Cu and Zn (400 μM), and the oxidant (malondialdehyde, carbonyl proteins) and antioxidant (reduced glutathione, catalase activity) markers were evaluated. The results showed that Fe and Zn have the highest prooxidant effect (37 and 33% of hemolysis, respectively). Quercetin, rutin and (+)catechin exhibited strong antioxidant properties toward Fe, but this effect was decreased with respect to Zn ions. However, the Cu showed a weak antioxidant effect at the highest flavonoid concentration (200 μM), while a prooxidant effect was observed at the lowest flavonoid concentration (100 μM). These results are in agreement with the physico-chemical and antiradical data which demonstrated that binding of the metal ions (for FeNTA: (+)Catechin, KLFeNTA = 1.6(1) × 106 M-1 > Rutin, KLFeNTA = 2.0(9) × 105 M-1 > Quercetin, KLFeNTA = 1.0(7) × 105 M-1 > Q35OH, KLFeNTA = 6.3(8.7) × 104 M-1 > Quercetin3'4'OH and Quercetin 3OH, KLFeNTA ~ 2 × 104 M-1) reflects the (anti)oxidant status of the RBCs. This study reveals that flavonoids have both prooxidant and antioxidant activity depending on the nature and concentration of the flavonoids and metal ions.
    Keywords Medicine ; R ; Science ; Q
    Subject code 500
    Language English
    Publishing date 2016-01-01T00:00:00Z
    Publisher Public Library of Science (PLoS)
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  5. Article: Beneficial effects of quercetin–iron complexes on serum and tissue lipids and redox status in obese rats

    Imessaoudene, Asmahan / Bachir Bensenane / Farid Berroukeche / Hafida Merzouk / Mourad Elhabiri / Nassima Mokhtari / Sabri Cherrak / Sid Ahmed Merzouk

    Journal of nutritional biochemistry. 2016 Mar., v. 29

    2016  

    Abstract: Obesity is characterized by iron deficiency, carbohydrate and fat alterations as well as oxidative stress. Iron status monitoring is recommended because of the conventional oral iron preparations that frequently exacerbate the already present oxidative ... ...

    Abstract Obesity is characterized by iron deficiency, carbohydrate and fat alterations as well as oxidative stress. Iron status monitoring is recommended because of the conventional oral iron preparations that frequently exacerbate the already present oxidative stress. Iron complexation by natural antioxidants can be exploited. We herein investigated the metabolic effects of quercetin (25mg/kg/day), iron (2.5mg Fe/kg/day) or quercetin–iron complexes (molar ratio 5:1; 25mg/2.5mg/kg/day) in animal models of obesity. Our results emphasized that obese rats displayed metabolic alterations that were worsened by iron supplementation. In contrast, quercetin used alone or as iron complex clearly prevented adipose fat accumulation and alleviated the hyperglycemia, hyperlipidemia, liver steatosis and oxidative stress. In addition, it induced a modulation of lipase activities in obese rats. Interestingly, quercetin–iron complexes showed enhanced beneficial effects such as a corrected iron deficiency in obese rats when compared to quercetin alone. In conclusion, antianemic, hypoglycemic, hypolipidemic and antioxidative effects of the quercetin–iron complexes shed a light on their beneficial use against obesity-related metabolic alterations.
    Keywords animal models ; antioxidant activity ; antioxidants ; blood serum ; carboxylic ester hydrolases ; fatty liver ; hyperglycemia ; hyperlipidemia ; iron ; lipids ; monitoring ; nutrient deficiencies ; obesity ; oxidative stress ; quercetin ; rats
    Language English
    Dates of publication 2016-03
    Size p. 107-115.
    Publishing place Elsevier Inc.
    Document type Article
    ZDB-ID 1014929-6
    ISSN 1873-4847 ; 0955-2863
    ISSN (online) 1873-4847
    ISSN 0955-2863
    DOI 10.1016/j.jnutbio.2015.11.011
    Database NAL-Catalogue (AGRICOLA)

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