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Calotropis procera: UHPLC-QTOF-MS/MS based profiling of bioactives, antioxidant and anti-diabetic potential of leaf extracts and an insight into molecular docking

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Abstract

This work aims to investigate antioxidant/antidiabetic activities of aqueous and aqueous ethanol (20–80% ethanol:water, v/v) extracts from Calotropis procera leaves followed by profiling of related bioactives using UHPLC-QTOF-MS/MS technique. Of the extracts produced, 80% ethanolic extract offered highest level of total phenolics and total flavonoids with contribution 176.31 ± 2.09 mg GAE/g DE and 65.38 ± 2.65 mg RE/g DE, respectively. The α-Glucosidase and α-amylase inhibitory effect of 80% extract was found to be maximum with IC50 value of 0.78 ± 0.01 mg/mL and 0.93 ± 0.01 mg/mL, respectively among others. The same extract also showed higher total antioxidant power (184.91 ± 3.65 mg/g AAE) and antiradical effect with corresponding IC50 of 87.35 ± 2.45 µg/mL. UHPLC-QTOF-MS/MS investigation of 80% ethanolic extract led to identification/characterization of different antioxidant and antidiabetic metabolites such as p-hydroxybenzoic acid, 4-O-β-d-galactopyranosyl-d-fructose, myrciacitrin IV, quinic acid and astragaloside/kaempferol/quinic acid derivatives. Based on the present findings, 80% ethanol leaf extract of C. procera was found to be an important source of bioactives with significant potency of antioxidant, α-glucosidase and α-amylase enzyme inhibitory effects. Binding affinity data and interaction patterns, elucidated via docking simulations, of potential bioactives in C. procera leaf extract predicted that they can inhibit α-glucosidase and α-amylase synergistically to prevent hyperglycemia. These results explore potential uses of C. procera for development of functional foods and antioxidant/antidiabetic nutraceuticals.

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Acknowledgements

Dr. Umer Rashid has purchased MOE 2016.08 license under HEC-NRPU, Pakistan project 5291/Federal/ NRPU/R&D/HEC/2016.

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Authors and Affiliations

  1. Department of Chemistry, University of Gujrat, Gujrat, Pakistan

    Muhammad Nadeem, Muhammad Waseem Mumtaz & Muhammad Danish

  2. Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, Abbottabad, Pakistan

    Umer Rashid

  3. Institute of Industrial Biotechnology, GC University, Lahore, Pakistan

    Hamid Mukhtar

  4. Department of Chemistry, University of Sargodha, Sargodha, Pakistan

    Farooq Anwar

  5. Department of Chemistry, GC University, Lahore, Pakistan

    Syed Ali Raza

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Nadeem, M., Mumtaz, M.W., Danish, M. et al. Calotropis procera: UHPLC-QTOF-MS/MS based profiling of bioactives, antioxidant and anti-diabetic potential of leaf extracts and an insight into molecular docking. Food Measure 13, 3206–3220 (2019). https://doi.org/10.1007/s11694-019-00243-z

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