Antimicrobial Evaluation, LC-MS Characterization and Computational Molecular Study of Ethanol Extract of Marine Macro Algae Sargassum tenerrimum J. Agardh

Objectives

The current research was aimed to assess the antimicrobial activity and LC-MS characterization, and computational molecular analysis of the ethanolic extract of marine macro algae Sargassum tenerrimum J. Agardh.

Materials and Methods

Marine macro algae S. tenerrimum collected from the coastal sediment was shade-dried, ground into powder, extracted by soxhlation using ethanol as the solvent. The dried extract obtained underwent phytochemical assessment and evaluation of antimicrobial activity including Minimum Inhibitory Concentration (MIC). The active components in the extract were analyzed by Liquid Chromatography-Mass Spectrometry (LC-MS). Molecular docking study and Molecular Dynamic Simulations (MDS) on the docked complex were performed using PrankWeb and Desmond 2020.1, respectively.

Results

Presence of Alkaloids, Glycosides, Phenolic compounds, Flavonoids, Saponins, Sterols, Tannins, Terpenoids, Carbohydrates, Proteins and amino acids were found in the phytochemical evaluation. In antimicrobial study, the Gram-positive bacteria such as Enterococcus faecalis and Staphylococcus aureus as well as the fungal pathogen Candida albicans were found to be inhibited. Some prominent compounds such as 3-Hexanone,2,5-dimethyl-; Pentadecanal; Cyclohexylethylamine; were identified in the LC-MS evaluation. In the docking and MDS evaluation, the compound, cyclohexylethylamine showed considerable structural and binding stability, and forms a thermodynamically stable complex.

Conclusion

Outcome of this study indicated that Cyclohexylethylamine is a promising candidate, worthy for further biological or drug development studies.