Investigation of Mushroom-derived Bioactive Compounds against Cancer - An in silico Molecular Docking Analysis
Abstract
Oyster mushrooms (Pleurotus ostreatus), are included in the category of nutritious foods, due to the presence of vitamins, proteins and different kinds of chemicals which preserve good health. It exhibited several medicinal properties like, anti-tumor, immune modulatory, anti-inflammatory, anti-arthritic, hypo-cholesterolaemic, anti-diabetic, anti-oxidant, anti-hypertensive, antiviral and antimicrobial activities. The current study was aimed at the identification of phytochemicals by suitable methodology followed by molecular docking studies and the effect of test extract on different cell lines. Preliminary phytochemical testing was conducted; identification of different phytochemicals was carried out by GC-MS method. The protein 1DI8 (CDK-2) from the Protein Data Bank was used to analyse the molecular docking investigation of the identified phytochemicals. In the present study, the methanolic extract of Pleurotus ostreatus contained six compounds - Propanedioic acid, phenyl-, Cyclopropanecarboxylic acid, 1-amino-, 2-Undecene, 4,5-dimethyl-, [R*,R*-(E Heptanoic acid, 2-methyl-2-butyl ester, Acetic acid, 2-propyltetrahydropyran-3,3-Tetradecene. Amongst all of these phytochemicals, Propanedioic acid, and phenyl-was shown to possess the highest score with 1DI8 (CDK-2) in the molecular docking investigation. Anti-cancer effect was also evaluated; the test extract was found to possess the same activity which was evident by the IC50 values. It was concluded that Pleurotus ostreatus possessed six phytochemicals, out of which Propanedioic acid, phenyl was found to have therapeutic potential in the treatment of cancers and was proved by locking mechanism through molecular docking studies. As Pleurotus ostreatus is known for higher biomass availability, further research is of utmost importance in the treatment of cancers.
Keywords:
Pleurotus ostreatus, Propanedioic acid, Phenyl, Anti-cancer activity, Gas chromatography-mass spectroscopyDOI
https://doi.org/10.25004/IJPSDR.2024.160113References
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