Novel Insights into the Bioactive Metabolites of Macrocybe gigantea (Agaricomycetes), Using Gas Chromatography-Mass Spectrometry Combined with Chemoinformatic Approaches

Macrocybe gigantea is an edible mushroom and has multiple pharmacological properties, including antibacterial, antioxidant, and antitumor activities. However, only a few reports are currently available on the bioactive compounds and bioactivity of this mushroom. Therefore, the present study aimed to explore the unique chemical diversity of the fruiting body of Al gigantea. Species identification was done accurately with morphological and molecular methods, followed by mycochemical extraction in different solvent systems. The ethanolic extract of the fruiting body gave maximum yield, and gas chromatography-mass spectrometry (GC-MS) analysis was performed along with an assessment of antibacterial activity and cell viability by the MTT assay. The GC-MS analysis revealed 50 metabolites, and further cheminfoimatics analysis of these metabolites revealed their possible biological activities. In addition, the physicochemical and mineral element analysis of M. gigantea revealed the quality and authenticity of the species. Altogether, the current investigation gives a comprehensive overview of the bioactive metabolites of M. gigantea.