IOANA MACASOI, MARIUS MIOC, DELIA BERCEANU VADUVA, ROXANA GHIULAI, ALEXANDRA MIOC, CODRUTA SOICA, DANINA MUNTEAN, VICTOR DUMITRASCU IN SILICO EVALUATION OF THE ANTIPROLIFERATIVE MITHOCONDRIAL TARGETED MECHANISM OF ACTION OF SOME PENTACYCLIC TRITERPENE DERIVATIVES Mitochondria play an important role in regulating cell viability. Mitochondrial dysfunction has been associated with many known pathologies including cancer. Mitocans are a class of compounds that alter important mitochondrial functions in cancer cells thus inducing cellular death. New pentacyclic triterpene derivatives are constantly developed with the aim of obtaining highly active antiproliferative agents. In this study a set of previously synthesized rhodamine B triterpene conjugates, designed as mitocans, were in silico evaluated with the purpose of elucidating their targeted mithocondrial mechanism of action. Molecular docking revealed that the compounds would predominantly interact with proteins that are part of the mithocondrial electron transport chain (ETC), such as NAD(P)H-quinone oxidoreductase (NDH) and succinate dehydrogenase (SDH).