Nutritional composition, antioxidant properties, and molecular docking strategy of muricidae operculum (Chicoreus ramosus)

Abstract

The murrcidae gastropod operculum has many therapeutic uses in ayurveda, including treating cancer, gastric, hepatic, cardiovascular, and immunological disorders. Antibacterial, cell reinforcement, FTIR, and mass spectrum datas were used to identify important functional groups and chemical constituents in Chicoreus ramosus operculum concentrate. At 100 ​mg/L, the operculum extract showed stronger inhibitory movement (125 ​mm) against Bacillus subtilis and less (08 ​mm) against Staphylococcus aureus. Operculum extract's biochemical composition, total antioxidant properties, protein denaturation, metal chelation movement, all-out cell reinforcement action, and anti-diabetic action were 85.71 %, 80.98%, 32.03%, and 76.47% at 1000 ​μg/mL concentration. The operculum remove FTIR showed nine significant groups, including amines, esters, and fragrant mixtures. 11 dynamic mixtures from GC–MS analysis of operculum rough concentrate. These bioactive fractions interacted with IL 23 in molecular docking experiments. Androst-1-en-3-one, Bis (2-ethylhexyl) phthalate, and 3-Methoxy-2,4,5-trifluorobenzoic acid had the highest docking scores and target protein receptor interactions. −11.9 ​kcal/mol, −08.6 ​kcal/mol and −7.7 ​kcal/mol are the maximum scores. These compounds are therapeutic and antimicrobial. These bioactive compounds in operculum extracts allow C. ramosus to be used in conventional medicine and may lead to the development of new drugs.