It is well-known that cisplatin is one of the three most widely utilized antitumor drugs worldwide. The platinum complexes have attracted much scientific and clinical interest as cancer chemotherapy compounds. However, these complexes have many undesirable side effects. To overcome this problem, cisplatine complexes are coupled with DNA and some enzymes [1]. Therefore, we replaced one of the thiorea ligand in Tetrakis(thiourea) platinum(ii) by guanine molecule to for a new anticancer drug. To discover the effect of guanine substitution on the structure of Tetrakis (thiourea) platinum(ii), the molecular geometry of the title complexes is theoretically studied by aid of density functional theory methods and the results will be compared for these two molecules. The MPW1PW functional using LanL2DZ basis set.

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