The thesis aims to showcase highly effecient, atom economical and environmentally friendly multicomponent reactions (MCRs) for discovery of novel chemical scaffold in synthetic chemistry, followed by further studies on the physicochemical properties or biological activity of those scaffolds. Based on Ugi-4CR, Ugi-4CR/cyclization reaction, GBB-3CR and GBB-3CR/deprotected reaction, we successfully synthesized six different novel chemical scaffold in chapter 1-5 of this thesis.