HIV, the ever-growing disease, is still to become an epidemic all over the world. There aren''t many causes for HIV but those which persist are all related to human flaws. Nevertheless since HIV persists in our society, we, the most intelligent people on planet must fight to treat and eliminate the dreadful disease. The book contains a small step towards the same. Here, the aim is to rationally design a molecule which substitutes pyrimidine molecule at the level of gene or DNA in the HIV. The process leads to defective retroviral DNA which leads to virus death. The approach is useful as it completes the necessities of having new molecules to kill new and mutated HIV strains.