Bisabolene compound extracted from cassia fistula and docked as antioxidant and vitamin E alternative predicted drug design
1 Department of Chemistry and Industrial Chemistry, College of Applied and Industrial Sciences, University of Bahri, Sudan.
2 Department of Biology, College of Applied and Industrial Sciences, University of Bahri, Sudan.
Research Article
GSC Advanced Research and Reviews, 2023, 15(01), 069–075.
Article DOI: 10.30574/gscarr.2023.15.1.0111
Publication history:
Received on 24 February 2023, revised on 10 April 2023, accepted on 13 April 2023
Abstract:
Cis-Z-alpha-bisabolene epoxide (bisabolene) compound is extracted from Cassia fistula plant bark, which is a medicinal tree that contains many useful drug substances, the compound can act as a drug predictably similar to vitamin E, with the same function as an antioxidant which can act on pregnane X receptor on the body cells. The gas chromatography-mass spectrometry (GC-MS) analysis was used to identify the constituents of the n-hexane extract. Drug Bank was used to find similar compounds. The ID of the pregnane x receptor (PXR) was retrieved from the PDB database. Then the bisabolene ligand was used for docking with the receptor using Swiss Dock. Finally, the Swiss ADME was used to study and predict the pharmacological parameters. It was found that bisabolene can act as an antioxidant and alternative to vitamin E in the pregnane x receptor and with good pharmacological predicted results. When bisabolene is used as an effective ligand with pregnane X receptor alternative to vitamin E, care must be taken because the compound can penetrate the blood-brain barrier (BBB) with a specific amount.
Keywords:
Cassia fistula; GC-MS analysis; Cis-Z-alpha- bisabolene epoxide; Pregnane X receptor; Swiss Dock; Swiss ADME
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Copyright © 2023 Author(s) retain the copyright of this article. This article is published under the terms of the Creative Commons Attribution Liscense 4.0
