New Nitrogen Based Azole Derivatives: Synthesis, Characterization, and In-Vitro Anticancer, Antibacterial Activity with Focus on Molecular Docking Studies (Research Article)

Author(s): Koratikanti Saritha* and K. Bhaskar

Abstract: A series of new nitrogen-based Azole derivatives I-(4a-4l) have been synthesized by conventional method. The structures of these compounds were confirmed by FT-IR, 1HNMR and Mass spectral analysis and Physical characterization. Compounds were evaluated for their in vitro antibacterial and anticancer activities. In Step-I, thiazolidine-2,4-dione(1a) prepared by cyclization between thiourea with chloroacetyl chloride. Compound 1a reacts with 4-aminobenzaldehyde by knoevenagel condensation to form 5-(4-aminobenzylidene) thiazolidine-2,4-dione(2a) in step-II. Substituted benzaldehydes reacts with compound 2a via Schiff’s base mechanism to form 5-(4-((3,4-dimethoxy benzylidene) amino) benzylidene) thiazolidine-2,4-dione (3a-3j) in step-III. In final step, compounds 3a-3j undergo mannich bases reaction with piperazine or morpholine to give title derivatives I-(4a-4l). Compounds I-4b, I-4h and I-4l exhibited excellent antibacterial activity when comparison with standard. Compounds I-4f (IC50 26.615±0.001) and I-4l (IC50 24.136±0.012), exhibited excellent anticancer activity against MCF-7 cell lines. Finally, molecular docking studies was performed by AUTODOCK Vina software by using EGFR receptor with Pdb Id:1M17. Compounds I-4a, I-4f, I-4j and I-4l showed good binding score.

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