International Journal of Scientific Research and Engineering Development

In the ongoing pursuit of novel bioactive heterocycles, the present study reports the synthesis and comprehensive characterization of structurally diverse compounds, including 3,4-dihydro-2H-pyrrolo[3,4-b]quinazoline,2-(4-bromo-2-chlorophenyl)-1,3-dihydro-2H-imidazo[4,5-b]pyridine, and 5-(phenylthio)-2-methyl-1,3,4-thiadiazole. Characterization using advanced spectroscopic techniques (NMR, IR, MS) confirmed their molecular frameworks. Detailed structure-activity relationship (SAR) analysis demonstrated key structural features driving potent biological activities. The synthesized derivatives exhibited significant cytotoxic effects against MCF-7 and A549 cancer cell lines, potent kinase inhibition, broad-spectrum antibacterial activity, and marked anti-inflammatory effects. Mechanistic insights derived from in silico docking and kinase binding profiles further clarified the probable modes of action. This study emphasizes the therapeutic potential of these scaffolds and provides a foundation for future medicinal chemistry optimization.

Arunika Tiwari, Dr.Vikash Verma,"Structure-Activity Relationship (SAR) and Mechanistic Insights of Novel Heterocyclic Derivatives with Promising Anticancer, Antimicrobial, and Anti-inflammatory Activities" International Journal of Scientific Research and Engineering Development, V9(1): Page(1927-1932) Jan-Feb 2026. ISSN: 2581-7175. www.ijsred.com. Published by Scientific and Academic Research Publishing.