GC-MS Analysis and Computational Studies of Roots of Anthocephalus Cadamba

The current investigation was aimed at identification of various bioactive compounds present in ethanol extract of Anthocephalus cadamba roots using GC-MS analysis and to perform molecular docking analysis. The ethanol extract of roots was prepared using hot extraction method and submitted to GC-MS analysis. Biological activities were predicted for all separated components using Dr. Duke’s ethnobotanical database. The identified bioactive compounds which were predicted to possess antioxidant properties were subjected to computational studies. Primarily drug like properties and bioactivity score was calculated and then the compounds were subjected to docking studies using GOLD software to ascertain the binding fitness score towards Bcl2 and NADPHoxidase. The outcome of GC-MS analysis reveals that roots of Anthocephalus cadamba are rich source of bioactive phytoconstituents which may ladle out as leads in development of drugs that possess good antioxidant properties and thereby aids in treatment of various related disorders like nephrotoxicity, cancers, diabetes and obesity.