Modeling and Molecular Docking Studies on Alangium salvifolium (Alanginaceae) as a Target for Anti-oxidant Enzyme

Abstract

Objectives: The present studies pursue at retrieve and draws the active phytocompounds structure of Alangium salvifolium and assessing its simulation anti-oxidant enzyme activities. Methods: Retrieve/draws of the compounds were carried out using chem.-sketch software. The 3-D structures of the Phytocompounds were visualized based upon the UV, NMR spectral data along with their energy simulation studies. The antioxidant and enzyme simulation activity were evaluated in-silico using the ACD labs,PyRx, RASMOL,PYMOL,Aragslab and Discovery 3.1 studio. Key Findings: Phytochemicals structure drawing of A. salvifolium resulted in the structured and recognition of four phytochemicals. The plant phytochemicals showed significant anti-oxidant enzymes activity enhancer and ROS eliminator through binding to its metal domain 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 foremost time from mimic with molecular docking. Moreover, study of phytochemicals simulation was for the first time from this plant. The plant revealed auspicious increase the antioxidant activities virtual screening. This gives thinking 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.