Reaction space charting of multicomponent processes: a novel approach in organic and biomedical research

[eng] To discover new scaffolds and to streamline the production of novel chemical entities with biological activity is essential for accelerating drug discovery. In this regard, multicomponent reactions (MCRs) offer efficient access to complex and unconventional connectivities. This thesis applies the reaction space charting strategy to systematically explore and describe MCRs, potentially leading to new scaffolds with biomedical applications. Through this approach, the investigation of the MCR involving carbonyls, amines, and isocyanoacetates revealed new multicomponent processes, yielding unsaturated imidazolones, and novel reactivity of the generated core. These scaffolds show promise in various biomedical applications, such as fluorescent probes. were tested as fluorescent probes and antimicrobial activity. Additionally, the reactivity of indole-2-carboxaldehyde (indole-2-CHO) in MCRs was studied, leading to the discovery of 6-substituted indolo[3,2-b]carbazoles (6-ICZs), potent ligands for the Aryl hydrocarbon Receptor (AhR). These synthesized 6-ICZs, obtained in one step, show promising anti-inflammatory activity and offer a tunable platform for AhR drug discovery, addressing key challenges in the field.