In Silico and In Vitro Screening of Ethanolic Extract of Fruits of Withania Coagulans against Diabetes
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In Ayurveda, the use of Withania coagulans a member of solanaceae is spotlighted. It is endowed in the east of the Mediterranean region, South Asia and India, the plant is found in the parts of Punjab, Haryana, Gujarat and Rajasthan.
To evaluate the in-silico and in-vitro anti-diabetic activity of extracts of fruits of Withania coagulans against the target alpha-glucosidase is the intention of the present study.
The anti-diabetic activity of Withania coagulans were initially studied by molecular docking of the phyto-constituents present in the fruits and the target proteins using the Maestero Glide software Schrodinger 2018. In vitro studies for the ethanolic extract against alpha glucosidase enzyme was performed.
Molecular docking of the phyto-constituents present in the fruits, withanolide A showed good interaction and high dock score against α-glucosidase and but it doesn't show hydrogen bond interaction with PPAR-γ. It exhibited an IC50 value of 314.3% and was compared with the standard acarbose.
Hence it is concluded that on increasing the concentration of the extract, a significant IC50 value can be obtained. This will be helpful in finding more potent anti-diabetic drug from the natural resources. Withanolide A showed good interaction and docking score against α-glucosidase and DPP-4 but it doesn't show interaction with PPAR-γ. Hence withanolide A can be used as an anti-diabetic agent against α-glucosidase. In future withanolide A the constituent present in the fruits can be targeted against the alpha glucosidase enzyme.
Anti-diabetic, α-glucosidase, molecular docking, withanolide, Withania coagulans.