The aim of this book is to provide novel hits for the target CypD that could be used with further optimization in future as the potential therapeutic strategy against cardiovascular disease. The study involved both in silico and in vitro analysis. To do this, fluorescence-based thermal shift assay was employed to screen compounds against CypD that were identified by computer aided docking screen (virtual screening). The assay revealed in vitro interactions (based on the binding affinity) of these novel compounds with the protein target (CypD).