Anticorrosive evaluation of an environmentally benign chromone-thiazole hybrid with excellent anticancer activity

Journal of Molecular Liquids(2024)

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摘要
The research article comprehensively presents salient applications of an environment friendly chromone-thiazole hybrid (CTH) as a potential anticancer molecule and as an organic inhibitor against mild steel (MS) corrosion. The SRB assay used for antiproliferative screening gives excellent IC50 (10.8 μM) against MDA-MB-231 (breast cancer) cell line. Further, CTH has excellent inhibition efficacy (∼97 % at 400 ppm) against MS corrosion in 1 M HCl. The in vitro results of anticancer and anticorrosive evaluation are in good agreement with the computational studies, which include docking, ADME, DFT, MD simulation, and toxicity prediction.
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关键词
Chromone-benzothiazole hybrid,Anticancer,Corrosion inhibition,MD simulation,ADME,Docking studies
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