Unravelling the potential of 2-(Bromo/polybromophenylamino) substituted-4-arylthiazoles: Synthesis, characterization, anticancer, antimicrobial, molecular docking, and ADMET studies

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dc.contributor.authorKumar, Aman
dc.date.accessioned2026-03-27T06:41:43Z
dc.date.available2026-03-27T06:41:43Z
dc.date.issued2026
dc.description.abstractA total of twenty-four 2-(bromo/dibromo/tribromophenylamino)-4-arylthiazole derivatives (3a-x) were pre pared to explore their biological potential, particularly to evaluate the effect of bromine substituent(s) on the phenylamino group attached at position-2 of the thiazole nucleus. The reaction of α-bromoacetophenones with different N-bromoarylthioureas at room temperature in alcohol afforded the target products in good yields. Their structures were established based on analysis of spectroscopic data and results of single-crystal X-ray diffraction technique. The anticancer evaluation revealed that compound 3p exhibited excellent selectivity (SI =8.86) with an IC50 value of 129.37 ±8.0 μM toward lung cancer cells (A549), surpassing the standard drug, Carboplatin (IC50 =128.83 ±2.0 μM, SI =1.21). It was observed that compounds possessing a 2,4-dibromophenylamino moiety linked at position-2 of the thiazole ring demonstrated the highest selectivity for A549 cells and the lowest cytotoxicity against Vero cells. Antimicrobial screening revealed that compounds 3g and 3h were highly effective against the bacterial strain, Staphylococcus aureus, and the fungal strain Candida albicans, with MIC values of 0.038 μg/mL (Ampicillin =1 μg/ml) and 0.021 μg/ml (Fluconazole =0.31 μg/ml), respectively. Furthermore, molecular docking studies were conducted on the newly synthesized candidates, which support their potential as effective biological agents. ADMET analysis for key pharmacokinetic and toxicological prop erties of these compounds was also conducted to assess their drug-likeness nature.
dc.identifier.urihttp://cuh.ndl.gov.in/handle/123456789/1853
dc.language.isoen
dc.titleUnravelling the potential of 2-(Bromo/polybromophenylamino) substituted-4-arylthiazoles: Synthesis, characterization, anticancer, antimicrobial, molecular docking, and ADMET studies
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