Phytochemical fingerprinting and evaluation of in silico anti-thrombotic properties of Justicia adhatoda L. and Cordia dichotoma Frost.

Abstract

The study aimed to characterize hydro-methanolic (25%) extracts of Justicia adhatoda L. (stem and flower) and Cordia dichotoma Frost. (Stem and fruit) and evaluate the in silico thrombolytic properties of the major phytocompounds present in the plants. In the preliminary fluorescence imaging through treatment by different reagents, both plants were found to be pharmacologically active. Further qualitative screening of phytochemicals, spectroscopy-based techniques, namely, UV-Vis Spectroscopy and FTIR, revealed various classes of compounds such as polyacetylenes, aglycones, quercetin, anthocyanins, anthraquinones, alkaloids, chalcones and aurones, flavanols, carotenoids, and flavanones. Further, by the application of Thin Layer Chromatography, phenols and flavonoids, namely Catechol, Kaempferol, Quercetin, and Lutein, along with other compounds like Chlorophyll b, Glutamic Acid, and Tryptophan were identified from the extracts. Finally, in the molecular docking study, three compounds, Datiscoside and Robinin of C. dichotoma and Daucosterol of J. adhatoda showed high binding energies (-10.224, -9.547 and -9.262 kcal mol-1 respectively) towards the G-protein coupled thrombotic platelet aggregation receptor P2Y1 when compared to that of the control MRS2500 (-7.148 kcal mol-1).