Identification Of Bioactive Complex, Molecular Docking, And Anticancer Effect Of Filifusus Filamentosus

Abstract

Components from natural resources are sought as alternatives to synthetic drugs for treating fatal diseases like cancer. This investigation focuses on F. filamentosus, with its extracted using methanol and identified through GC-MS analyses. Molecular docking aids in understanding interactions between inhibitors and enzymes, summarizing recent advancements in in silico research for anticancer drug discovery. These reports indicate that molluscs, particularly gastropods, are valuable sources for discovering novel compounds for pharmaceutical drug development. The current study focuses on examining the GC-MS analysis, docking studies, anticancer activity, apoptosis effect, cell nuclear morphology, and DNA fragmentation of the methanolic extract of F. filamentosus. In this study, AutoDock 4.2 was utilized to analyze compounds from the gastropod F. filamentosus that can bind to the 5p21 protein, thereby inhibiting uncontrolled cell proliferation. Notably, 2-4-Di-tert-butyl-phenol was identified as having a promising association with the 5p21 protein binding site. The cytotoxic effects of F. filamentosus were examined using the MCF-7 cell line. While the search for chemopreventive compounds in marine organisms has been widely reported, the presence of such compounds in F. filamentosus has been only minimally explored. The apoptotic potential of methanolic extracts from F. filamentosus was examined in this work. The findings of this study indicated that chemicals with chemopreventive and anticancer characteristics were present in the methanolic extract of F. filamentosus. Similarly, its capacity to trigger apoptosis in MCF-7 cells accounts for its moderate cytotoxic effect. As a result, this study's findings have produced a new source of molluscs with strong apoptotic effects, this finding help to developing natural treatments for cancerous tumours in the future which would be less expensive, safer, and have less side effects.