Interactions of the aquated forms of ruthenium(iii) anticancer drugs with protein: a detailed molecular docking and QM/MM investigation

• DOI: 10.1039/c4ra10630j
• Publication Date: 2014-11-03T09:39:38Z
• Authors: Dharitri Das; Abhijit Dutta; Paritosh Mondal
• Keywords: Docking (animal); Human serum albumin; Aquation

The interaction of monoaqua and diaqua ruthenium complexes which are formed after intracellular aquation their respective with human serum albumin (<bold>HSA</bold>) has been computationally investigated by molecular docking two layer QM/MM hybrid methods.