Browsing by Author "Khelifi, Douadi"

Now showing 1 - 1 of 1
  • Thumbnail Image
    Item
    The evaluation the anti SARS COV-2 of bio active molecules from Algerian fir (Abies numidica de Lannoy) needlesin silico
    (University of Oum El Bouaghi, 2021-12-13) Benouchenne, Djamil; Bellil, Inès; Khelifi, Douadi
    Background: plants containa huge number and amounts of secondary metabolites that have a beneficial effect on human health. In recent time, there is a great deal of attention on the use of plant extracts as an alternative drugs, to reduce the adverse effect of synthetic one. To reduce time and money bioinformatic tools become necessary.Algerian fir or Abies numidica is an endemic plant, found only in Babor's mounts. Used in folk medicine as an anti-inflammatory, to treat cataplasm and dissolve the respiratory system problems. Objective: the aimof our research is the prediction of the antiviral (anti SARS COV-2) effect of bioactive moleculesdetermined in Abies numidica leaves extracts using in silico tools. Material and methods: molecules determinedby LC-MS/MS analysis in ethyl acetate and n-butanol fractions were taken and analysed in silico. Different programs and servers were used as Hyperchem, Avogadro, Mopac, Dockthor to optimize and visualize the interactions between biomolecules and main protease (Mpro) of SARS COV-2. Results: results revealed that hyperoside and quercitrin presented a strong inhibitory ability agains SARS COV-2 virus, with an energy of interaction of -8.8 kcal/mol. Conclusion: more studies are needed to find and discover new biological products from natural ressources inorder to avoid side effects of synthetic one.