Journal: Drug Invention Today

Article Id: JPRS-Pcol-00002542
Title: Virtual screening technique to identify embelin as potent inhibitor of mortalin p-53 tumor suppressor protein
Category: Pharmacology
Section: Research Article
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    Background: Embelia schimper (E.Schimper) is a traditional, medicinal shrub of the family Primulaceae. The fruit of E. Schimper has an active constituent known as Embelin, which has a wide spectrum of therapeutic activities in conditions like cancer, diabetic and neurodegenerative diseases. It also has significant therapeutic effects as an anti helmentics, anti ‑inflammatory, antispermatogenic, antioxidant, antibacterial, analgesic and hepatoprotective. Objective: The objective of this study is to show that the main drawback of the anticancer drugs i.e. the Mortalin p53 interactions, which are greatly inhibited by Embelin and also activates p53 protein in tumor cells there by promoting apoptosis. Materials and Methods: In this study, the three‑dimensional coordinates of the crystal structures of the Embelin p53 (PDB‑ID: 5LAP, 5ABA, 5AFB and 5G4O) and Mortalin (PDB‑ID: 5FOX, 5EY4) were downloaded from the RCSB protein data bank archive and used for docking studies. Auto dock was used to find the interaction site of the receptor and the protein molecule. From the docking results the compound shows satisfactory dock score values respectively. The docked compounds were visualised by using Discovery studio4.1 visualizer followed by DruLiTo software which satisfied the Lipinski’s property for all compunds. Conclusion: The results have shown that Embelin successfully binds with p53 and enhances apoptosis due to its higher binding energy. Therefore mortalin cannot bind with p53 which leads to decrease amount of mortalin p53 interactions. Thus these compounds can be effectively used as drug for treating anticancer activity.

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    Author(s) Name:

    M. Vijey Aanandhi 1 *, Joyita Krishanmurthi 2 , S Lakshmi kanthamma2 , C N Hemalatha3

    Affiliation(s) Name:

    1 Department of Pharmaceutical Chemistry and Analysis, School of Pharmaceutical Sciences, Vels Institute of Science, Technology and Advanced Studies, Chennai – 600 117, Tamil Nadu, India,

    2 Department of Pharmacy Practice, School of Pharmaceutical Sciences, Vels Institute of Science, Technology and Advanced Studies, Chennai – 600 117, Tamil Nadu, India,

    3 Department of Pharmaceutical Chemistry, School of Pharmaceutical Sciences, Vels Institute of Science, Technology and Advanced Studies, Chennai – 600 117, Tamil Nadu, India

    *Corresponding author: Dr. M. Vijey Aanandhi, Department of Pharmaceutical Chemistry and Analysis, School of Pharmaceutical sciences, Vels Institute of Science, Technology and Advanced Studies, Chennai – 600 117, Tamil Nadu, India.

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    Author:

    M. Vijey Aanandhi 1 *, Joyita Krishanmurthi 2 , S Lakshmi kanthamma2 , C N Hemalatha3

    Title:Virtual screening technique to identify embelin as potent inhibitor of mortalin p-53 tumor suppressor protein
    Journal:Drug Invention Today
    Vol(issue):10 (Oct)
    Year:2018
    Page No: (1992-1995)
  • Experimental Methods Keywords

    Methodology:In‑silico screening
    Research Materials: Embelia schimper (E.Schimper)

Keywords

Autodock4.2; Binding energy; Embelica schimper; In‑silico screening

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