Comparative Binding Affinities of Platinum-Based Drugs toward Purine Alkaloids and Nucleobases.

Platinum-based anticancer drugs are among the most commonly used agents in cancer therapy. In particular, carboplatin, cisplatin, and oxaliplatin have been used in both monotherapies and combination therapies for many years. The main targets of these compounds are nucleobases in DNA. By creating cross-links, they inhibit cell development and lead to apoptosis. Recent studies indicate that platinum-(II) drugs can interact with other compounds with structures similar to nucleobases. For this reason, the current study analyzed the interactions of carboplatin, cisplatin, and oxaliplatin with nucleobases and purine alkaloids (caffeine, theobromine, theophylline) using spectroscopic and computational chemistry methods. Theoretical studies indicated that cytostatics exhibit affinity not only for nucleobases but also for purine alkaloids. However, cytostatics more easily form complexes with nucleobases compared with alkaloids. Experimental investigations confirmed the results of these theoretical studies.