Maytenus emarginata is a Ethno medicinal plant and the leaves of this plant it is extensively used by the tribal’s of south Indian Nallamala forest region, the aim of our extension study of Project work is to evaluate the Molecular modeling & docking studies on active compounds of Maytenus emarginata. As we already evaluated the Total Phenolic Content, Total Flavanoid Content, Determination of Total Antioxidant Activity, Determination of Reducing Antioxidant Power (FRAP), Nitric Oxide Radical Scavenging Activity, Hydroxyl Radical Scavenging Activity, Superoxide Radical Scavenging Activity, and Evaluation of α-glucosidase inhibition Activity. In our previous study, we also evaluate the gastro protective activity and its effect on antioxidant enzymes of Maytenus emarginata