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Original Article

J App Pharm Sci. 2020; 10(3): 101-108


Phytochemical Screening, In Vitro Anti-oxidant Activity, and In Silico Anti-diabetic Activity of Aqueous Extracts of Ruellia tuberosa L.

Anna Safitri, Fatchiyah Fatchiyah, Dewi Ratih Tirto Sari, Anna Roosdiana.




Abstract
Cited by 27 Articles

The study aimed at investigating the phytochemical profiles, in vitro anti-oxidant activity, and in silico molecular docking anti-diabetic activity of aqueous root extracts of R. tuberosa L. Phytochemical qualitative tests revealed the positive detections of tannins, flavonoids, ascorbic acid, and phenolic compounds. Using LC-HRMS analysis, 12 compounds were tentatively identified in the extracts. The major compounds were tentatively identified as betaine, daidzein, hispidulin, alpha-linoleic acid, and 4-coumaric acid. The aqueous root extracts have high anti-oxidant activity with the IC50 value of 15.2 g/mL against DPPH free radicals. The major putatively identified compounds were docked to human pancreatic alpha-amylase protein, to investigate their inhibitory activities to this enzyme. The interaction between betaine, daidzein and hispidulin in docking with human pancreatic -amylase showed different binding sites to the protein. In addition, the types of bonds involved were mostly hydrogen and hydrophobic bonds which show interactions between three ligands and α-amylase. Energy generated from docking between betaine, daidzein and hispidulin with α-amylase were -137.6, -245.8, -236.7 cal/mol, respectively. This study concludes that aqueous root extracts of R. tuberosa L. have prospective as inhibitor for alpha-amylase protein, and to be used as anti-diabetic agent. Further in vitro and in vivo studies are needed to confirm this work.

Key words: Ruellia tuberosa L, LC-HRMS, phytochemical screening, DPPH, in silico, α-amylase.






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