Aromatic side groups in biomolecules engage in mutual noncovalent interactions, leading to the formation of dimers, trimers, and higher- order clusters, which play a vital role in the structural stabilization of proteins, protein folding, and protein–protein recognition. Due to their significance in biology, the synthesis, structural and energetic calculations of small molecules containing such motifs are of great interest. However, designing these motifs poses a significant challenge. Nevertheless, we have successfully developed a unique synthetic strategy that allows for the arrangement of a noncovalent aromatic cyclic trimer motif within C3-symmetric organic molecules.
Helicates exhibit a structural resemblance to DNA, α-helices, and zinc finger protein. The design of diverse helicates with varying metal ions, shapes, and sizes holds significant importance in biological fields, especially as metallodrugs. Our focus has been on creating kinetically inert and phosphorescent helicates and mesocates. Additionally, we are also exploring helicates/mesocates that can be activated by releasing one of their coordination strands through either pH reduction or additional agents. Collaborating with leading institutes, we are actively conducting biological studies using these helicates/ mesocates, with a particular focus on their anticancer activities against various types of cancer cell lines.
Rhenium carbonyl-based Cages, Cycles and Acyclic complexes: Potential Molecular Sensors and Biomedical materials
Functional coordination cages and metallocycles can act as hosts for suitable molecules and ions. The shape, size, and nature of the cavity in the coordination cages/cycles depend on the metal cores and organic building motifs. We have been designing the rheniumtricarbonyl core-based cages and cycles with diverse shapes and sizes with the inner cavity suitable for accommodating specific anions/organic guest molecules. We have been studying sensing studies towards various important ions and molecules. Further, these kinetically inert cycles and cages can act as anticancer agents. Colloborating with leading institutes, studies in this direction have been going on currently.
Mythological symbols: Artificial molecules
Mythological alchemical symbols inspire chemists for designing and synthesizing simple to exotic complex architectures and offer perspective in solving/analyzing new structures. A famous example is the formulation of the structure of benzene by Kekule, famously known to be inspired by his dream of ouroboros, an ancient symbol depicting a serpent or dragon eating its own tail. Though the symbols look very simple, preparing molecular mimics remain formidable challenge. We developed on a unique synthetic strategy to achieves a double ouroboros, two different snakes/serpents eating each other's tails, -shaped molecules.
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