Phytochemicals from Alangium salvifolium (Alanginaceae): Structures, Molecular Docking and Its Antioxidant Enzymes Stimulating Activity

Abstract

Objectives: The current studies aimed at retrieve and draw the secondary metabolites structure of Alangium salvifoliuum and assessing its anti-oxidant enzymes stimulating activities. Methods: retrieve/draws of the compounds were carried out using chem.-sketch software. The 3-D structures of the Phytochemicals compounds were visualized based on the UV, NMR spectral data along with their mass-spectrometric analyses. The antioxidant and ROS elimination activity were evaluated in-silico using the ACD labs, PyRx, RASMOL, PYMOL, Aragslab and Discovery studio. Key findings: Phytochemicals structure drawing of A. salvifolium resulted in the structured and identification of five phytochemicals. The plant phytochemicals showed significant anti-oxidant enzymes activity enhancer and ROS eliminator through blocking to its ROS generation receptor. Conclusion: phytochemicals were drawing from  A. salvifolium. To the best of our knowledge, among these phytochemicals, were studied anti-oxidant enzymes metals binding domain to increase the ROS scavenging activity for the first time from in-silico study with molecular docking. Moreover, study of phytochemicals simulation was for the first time from this plant. The plant revealed promising increase the antioxidant activities virtual screening. This gives rationale to some of its pharmacological properties and suggests additional antioxidant effects, for as a scavenger as well as anti-oxidant enzyme stimulator, which have not been reported yet.