The study of bioactive compounds based on platinum is associated with the discovery of the inhibitory activity of cisplatin on the cell division of Escherichia Coli bacteria, in 1965. Its antimitotic activity was studied in malignant tumors, such as Kaposi 180, and its effectiveness was appreciated in low doses, being approved in 1978 by the Food and Drug Administration (FDA). Since the marketing approval, around 3000 platinum analogues have been synthesized, 185 of which have registered activity, but only five were approved, namely. The mechanism of action of the cisplatin complex and its analogues begins with their entry into the cell through active diffusion, carried out by copper and organic cationic transporters. In the cytoplasm, it undergoes successive hydrolysis reactions, due to the low concentration of chloride anions. In sequence, platinum interacts with purines and triggers their cytotoxic action. But the side effects related to his therapy resistance to inert cancers such as colon and nonsmall cell lung; or acquired, caused by biomolecules such as cysteine, methionine and GSH, it is necessary to study new compounds. In silico approaches, despite having a smaller number of works, are increasing, as computational chemical methods at molecular, quantum or hybrid modeling levels (QM/MM) are providing relevant data to biological systems. In the field of molecular docking, methods are used to predict the preferred orientation of one molecule over a second when linked together to form a stable complex. In addition to providing descriptors for the study of the quantitative structure-activity relationship (QSAR). This is appreciated in the work by Chojnaki and team in which the electrostatic potentials at the DFT level describe cisplatin with greater interaction with serum sulfur atoms compared to transplatin. The abstract describes two in silico studies that presented structure-activity data involving platinum
antitumor agents, which provide promising data for the class. The first article describes the development of new platinum complexes, in which it proposes four medicinal compounds depending on the type of binder, as the first binder has anticancer efficacy, such as tamoxifen or methotrexate, and the second chemical compounds, such as curcumin or xanthine, were used as ligands that are bound to Pt+4 (prodrug). While the second presents new Pt(II) complexes [R′2Pt(CNR)2] (1a–c; R′ = Me and 2a–c; R′ = p-tolyl) were synthesized by the reaction of the precursor complexes cis, cis-[Me2Pt(μ SMe2)2PtMe2], A, and cis-[(p-tolyl)2Pt(SMe2)2], B, with four and two equivalents of different types of isocyanide ligands (CNR; R = a; t-butyl, b; benzyl, and c; cyclohexyl isocyanide), respectively.