GC–MS-based metabolite fingerprinting reveals the presence of novel anticancer compounds in the microcolonial fungus <i>Aureobasidium sp.</i> TD-062 from the under-explored Thar Desert

<i>Aureobasidium sp.</i>, strain TD-062, a micro colonial black yeast, was obtained as part of a screening program from the Thar Desert of India, which has been inadequately explored for novel microorganisms/bioactive metabolites. The anticancer activity of aqueous and organic solvent extracts of culture supernatant of TD-062 was investigated against A-375 myeloma and MCF-7 breast cancer cell lines. Following column chromatography, bioactive fractions were subjected to GC-MS analysis in two cycles. The GC-MS metabolite fingerprinting revealed 20 compounds belonging to various chemical groups. Further, based on observed and calculated mass ion spectra, retention time, and retention indices, many compounds could be considered novel. The second purification cycle resulted in three compounds- ATD-1, ATD-2 and ATD-3 with different calculated retention indices from that of the nearest matching compounds, squalene and tocopherol. <i>In silico</i> prediction study of their ADMET profiles, suggests that these new compounds have a suitable contour for use as safe anticancer drugs, without the toxicity normally associated with anticancer compounds.