Platinum(II) complexes are on the frontline of inorganic anticancer agents and still the most effective therapeutic agents in clinical medicines. However, in order to overcome some side-effects many other transition metal complexes were explored as anticancer agents for applications in different medical approaches. In this perspective, the knowledge of the mechanism of action is of paramount importance. Quantum mechanics can thus help in the design of increasingly efficient drugs.
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A comparative computational mechanistic study on derivatives of pyriplatin, modified with the –CH2Ph3P+ group, as anticancer complexes targeting mitochondria. Inorganica Chimica Acta, 2020, 512, 119863
Theoretical determination of the aquation reaction mechanism of cyclometalated benzimidazole Ru(II) and Ir(III) anticancer complexes. Inorganica Chimica Acta, 2018, 470, 325-330
Investigation of the Inertness to Hydrolysis of Platinum(IV) Prodrugs. Inorganic Chemistry, 2016, 55 (4), 1580–1586.