Replacing sand with an eco-friendly material is playing a significant role in many different fields of applications, regarding their better compression strength and high modulus. Green sand casting is treated as the most versatile casting process due to its excellent design flexibility that offers complex shapes and the ability to reclaim silica sand. The modern foundries are looking for alternate molding materials to partially replace the high-cost silica sand. Cow dung is a naturally available eco-friendly binding as well as additive material and is used to partially replace silica sand. Improper choice of the combination of molding sand variables, such as degree of ramming, percentage of cow dung, percentage of clay, and percent of water will affect the molding sand properties and thereby the quality of the casting. In the present work, the Taguchi method is employed to plan and conduct experiments. Further, a numerical simulation is carried out using Abaqus® to estimate the compression strength of the specimen & stress fields are computed using Abaqus explicit code. The compression strength is experimentally validated using suitable tests as per ASTM standards. Optimization techniques are adopted in the Abaqus solver to achieve a suitable combination of eco-friendly material & other constituents. Taguchi GRA method is used to determine the single optimal levels of input factors that enhance the performances of all the sand mould properties. The percentage of clay and eco-friendly material was found to be the most dominating factor in all the sand mould properties.