The process of drug development and drug discovery is very challenging expensive and time consuming. It has been accelerated due to devlopment of computational tools and methods. In current situation lots of molecular docking software are available in the market, during lirerature survey it was found that Discovery Studio is suit of software for stimulating small molecule and macromolecule system. It is developed and distributed by Accelarys. It helps to Investigate and test hypothesis in silico prior it costly experimental implimentation thus reducing the time and expense involved in bringing products to market. it is developed and distributed by Dassault system BIOVIA (formerly Accelerys). During literature survey it was found that Discovery Studio software was efficiently guided to as author regarding mainly biological activities like anti-inflammatory activity, anti-tubercular activity, anti-bacterial activity, anti-viral activity, anti-diabetic activity and anti-oxidant activity.