PREPARATION, BIOLOGICAL AND DOCKING STUDY OF 2, 2'-DIFLUORO DIPHENYLGLYCOLICACID

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 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.