Conformational Studies of Triazole Based Flexible Molecules: A Comparative Analysis of Crystal Structure and Optimized Structure for DNA Binding Ability

The present studies deal with design and synthesis of triazole based flexible molecules, their conformational analysis and DNA binding ability. The conformational studies were carried out in solid state through crystal structure and in gaseous state through theoretical calculation. The obtained conformations, found from either crystal structure or optimized most stable conformation from theoretical calculation have been screened for DNA binding ability to find importance of conformation in flexible organic molecules.