In the present study, phytochemical, and bioactive compounds were identified in the ethylacetate extract of Cyathea nilgiriensis pith powder. Phyto-chemical studies showed the presence of flavonoids, alkaloids, glycosides, carbohydrate, phenols, and steroids. Totally four bioactive compounds were identified by GC-MS analysis. Among the 4 compounds, 1,2-Benzenedicarboxylic acid, butyl 2-ethylhexyl ester was selected as ligand. Molecular docking of ligand with diabetic target (protein tyrosine phosphatase 1 beta) was performed by autodock ver. 4.2.1. The ligand, 1,2-Benzenedicarboxylic acid butyl 2-ethyl hexyl ester was strongly bound with target protein tyro-sine phosphatase 1 beta. From the result, it is concluded that the bioactive compound 1,2-benzene dicarboxylic 2 ethyl hexyl ester may be used as the drug candidate for the treatment of diabetes mellitus after clinical validation.