The drug-likeness and efficiency of various herbal compounds were screened by docking studies. One of the main pharmacological problems today in the treatment of cancer consists of the fact that anti-inflammatory drugs usually exhibit side effects. The natural products offer a great hope in the identification of bioactive lead compounds and their development into drugs for treating inflammatory diseases. Computer-aided drug design has proved to be a very useful tool for discovering new drugs. Rhinacanthus nasutus is an important medicinal plant which possess bioactive compound “Rhinacanthone”In this work an attempt was made to dock the target proteins of breast cancer with rhinacanthone and the plant genome was annotated using various bioinformatics software tools to decipher the biological functions of various proteins present in it.Rhinacanthone was found to have best interaction with BRCA1 target protein. Thus this small molecule Rhinacanthone is suggested to be used clinically as anti tumor agent.