In silico and in vitro approaches to evaluate the bioactivities of Chaetomorpha linum.

• Marine algae are prolific source of bioactive secondary metabolites and are found to be active against therapeutic agents. • In vitro and insilico antioxidant and anticancer was evaluated by DPPH, TPC and TFC assay, ADMET and Molecular docking. • Excellent antioxidant and anticancer displayed by majority of the extracts. • Enzyme and antioxidant were impressively inhibited by the Chaetomorpha linum ethanol extract Molecular modeling indicated the interaction of chemical constituents with studied enzymes. Seaweeds are rich in bioactive metabolites that could be used to develop new natural compounds in the pharmaceutical and cosmetic industries. The secondary metabolites, antioxidants, ADMET, Molecular docking and anticancer agents are investigated in the present study. The current research shows that seaweed, Chaetomorpha linum is vital source of natural antioxidants, which confirmed by free radical scavenging activity, DPPH, total phenolic and flavonoid content. The enzyme maximum inhibition of Glutathione respectively. It is noteworthy that glucoside action is dominant over the amylase enzyme. The anti-cancer activity of ethanol extracts showed the IC 50 values 72.8 μg/mL−1 for MCF-7, respectively. The identified phytocompound absorption, distribution, metabolism and excretion assessed by SWISS ADME/T, it provides information about Human intestinal absorption and blood–brain barrier permeability. In addition, phytocompounds interaction with protein was confirmed by molecular docking. The protein 3ERT interaction of compounds 3 (-7.97 kcal/mol), compound 4 (-8.36 kcal/mol) and compound 2 (2,4-Di-tert-butylphenol -6.96 kcal/mol) provides high binding energy in comparison to other proteins. Hence, the present studies indicate that antioxidant, anti- diabetic and anticancer activity of ethanol extract as an alternative to the existing therapeutic approach to diabetic and cancer through a systematic in vitro and in silico approaches supplementing the findings. [ABSTRACT FROM AUTHOR]