Hypothyroidism is a common endocrine disorder in which the thyroid gland does not produce sufficient thyroid hormone. It can cause a number of symptoms, such as tiredness, poor ability to tolerate cold, and weight gain. In this insilico research, we identified protein target drugs have significant role in treating hypothyroidism and associated female and male infertility disorders. The designed de novo drugs show higher binding affinities when compared to the existing drugs. Hence by way of this project we discover de novo drugs which act as potential therapeutic agents in controlling Hypothyroidism.