Metabolite profiling, molecular docking and in vitro anticancer potential of marine ascidian Didemnum sp

Publication date: Available online 21 September 2019Source: Process BiochemistryAuthor(s): Velusamy Arumugam, Manigandan Venkatesan, Selvakumar Murugesan, Rathinam Ayyasamy, Saravanan Ramachandran, Umamaheswari Sundaresan, Arivalagan PugazhendhiAbstractMarine ascidians contain potential bioactive compounds, which exhibit significant pharmacological activities. In the present study, the MeOH extract of Didemnum sp. was subjected to FT-IR, GC-MS analysis, the possible interactions with EGFR through docking analysis and in vitro cytotoxic activity against KB (Human oral cancer) cell line were also studied. The FT-IR analysis of Didemnum sp. revealed a number of functional groups namely, aromatics, amines, aldehydes, alcohols, alkyl halides, alkynes, alkanes, phenols and carboxylic acids. The GC-Ms analysis showed 30 peaks reflecting L-Ascorbic acid, 6-octadecanoate (49.16%), l-(+)-Ascorbic acid 2, 6-dihexadecanoate (12.88%), Oleic Acid (1.19%), Benzothiazole (1.09%) Heneicosane (0.72 %), Hexadecanol (0.49%), Heptadecane (0.47%), Eicosane (0.40%) and n-Decanoic acid (0.36%). The docking analysis showed minimal energies for L-Ascorbic acid, 6-octadecanoate (−7.4 kcal/mol), Cholesta-5, 7-dien-3.beta.-ol (-7.3 kcal/mol), l-(+)-Ascorbic acid 2, 6-dihexadecanoate (−6.5 kcal/mol) and Ethanol, 2-(9-octadecenyloxy)-, (Z) (−6.3 kcal/mol) against EGFR (Epidermal growth factor receptor), which confirmed the possible binding interactions. The obtained bioactive compounds of Did...
Source: Process Biochemistry - Category: Biochemistry Source Type: research