Eco‐Conscious Synthesis and Characterization of Indolizine Derivatives With In Vitro Antimicrobial Assessment and In Silico Anti‐Tb and Anticancer Docking Studies

This study presents the synthesis of indolizine derivatives 4a–f employing a green chemistry protocol, designed to mitigate the environmental drawbacks of traditional synthetic routes while enhancing efficiency and sustainability in indolizine preparation. Reaction progress was tracked via thin‐layer chromatography, with products isolated by column chromatography. The structures of all purified compounds were verified using elemental analysis and spectroscopic methods, including FT‐IR, 1 H NMR, 13 C NMR, and LC‐MS. Molecular docking studies were conducted using Schrödinger Maestro in Standard Precision mode against four tuberculosis targets (4R9R, 7WVZ, 1ZVW, 6J2V) and three cancer‐associated targets (3D3P, 6Z4B, 5EW3). The compounds exhibited robust hydrogen bonding interactions and favorable docking scores against Mycobacterium tuberculosis and multiple cancer targets. Notably, compound 4e emerges as a promising candidate for further pharmacological evaluation as a potential multi‐target anti‐TB agent, while 4d shows promise against various anticancer targets. Furthermore, these compounds were evaluated for in vitro antifungal and antibacterial activities, with 4a , 4b , 4c , 4d , and 4f demonstrating superior efficacy against bacteria and fungi.