Synthesis In Silico Estimation and Pharmacological Screening of Some Substituted Oxadiazole Derivatives

Oxadiazole derivatives have emerged as a vital class of heterocyclic compounds in medicinal chemistry due to their diverse pharmacological activities and favorable drug-like properties. The present study focuses on the design, synthesis, in-silico analysis, and pharmacological evaluation of a series of novel substituted oxadiazole derivatives with the objective of identifying promising candidates for future therapeutic development. The structures of the synthesized derivatives were confirmed using spectral techniques such as FT-IR, ¹H-NMR, and mass spectrometry, ensuring purity and structural integrity. In-silico studies were performed to predict the biological behavior of the synthesized compounds, focusing on their molecular docking interactions with selected protein targets known to play key roles in microbial infection and inflammation. The docking results indicated strong binding affinities and stable interactions between several oxadiazole derivatives and the active sites of the target enzymes, suggesting potential for antimicrobial and anti-inflammatory activities.