Preparation, Biological Activity and Docking Studies of 2,2’- diphenylglycolic Acid

Aromatic diphenylglycolic acid and various selected derivatives were synthesized with success and systematically examined to determine their structural characteristics, molecular interactions, and biological potential. The synthesis involved a standard benzil–benzilic acid rearrangement strategy, followed by appropriate functional modifications to achieve the target derivative with good yield and purity. The synthesized compounds were recrystallized for purification and verified via extensive spectral characterization. Characteristic absorption bands corresponding to hydroxyl (–OH), carboxylic acid (–COOH), and aromatic functional groups were revealed by Fourier Transform Infrared (FT-IR) spectroscopy. 1H and 13C NMR spectra offered detailed insights into proton and carbon environments, confirming the diphenyl substitution pattern and the presence of a glycolic acid moiety. Molecular interaction studies were performed to understand intramolecular and intermolecular interactions, including hydrogen bonding and π–π stacking, which play a crucial role in the stability and reactivity of these aromatic systems. The biological activity of the synthesized compounds was evaluated through in-vitro antimicrobial assays, demonstrating moderate to significant activity against selected bacterial and fungal strains, with the derivative showing enhanced efficacy due to substituent effects. To rationalize the observed biological behavior, molecular docking studies were carried out against relevant biological target proteins. Docking results indicated favorable binding affinities, stabilizing hydrogen bonds, and hydrophobic interactions within the active site, suggesting a plausible mechanism of action at the molecular level. Overall, the combined experimental and computational studies highlight aromatic diphenylglycolic acid derivatives as promising scaffolds for further development in medicinal chemistry.