Glioblastoma multiforme (GBM) is the most aggressive form of the gliomas, a collection of tumors arising from glia or their precursors within the central nervous system caused by the overexpression of EGFR (Epiderma Growth Factor Receptor), EGFRvIII and EphA2 (ephrin type A). Due to high mortality and resistance of GBM to conventional therapeutic treatments, there is an urgent need to deviate from conventional treatments and delve into molecular targeted drug therapy techniques. In the present study, the fatty acid methyl esters (FAME) of polychaete species, Namalycastis abuima from mangrove ecosystem was assessed for the inhibition property against GBM. Totally 29 fatty acids along with the previously reported potential compounds such as Anilinoquinazoline, Thalidomide and Tetracenomycin D3, were structurally optimized and docked against the GBM target proteins EphA2, EGFR and EGFRvIII in Arguslab software. Intriguingly all the fatty acids showed better docking energy (-14.128 to -9.224 Kcal/mol) than the previously reported drugs (-10.582 to -5.874 Kcal/mol). Among the fatty acids, polyunsaturated fatty acids (PUFA) were found to be the most effective as evident by the strong interaction with the target proteins. The in silico ADME results further substantiated the efficacy of fatty acids as a potential natural source which could inhibit the activity of the overexpressed mutant type EGFR.
