Molecular docking and Anticancer Activity of Some Synthesized 1,4- naphthoquinone Derivatives against Human Cancer Cell Line

Amani A.S. Abdelaziz,Muhammad Nawaz,Ishraga Izzeldin,Haya A. Abubshait,Ahmed Alsadig,M.S. Gomaa,Samar A. Abubshait,Donya Alsewdan

Journal of Molecular Structure（2023）

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摘要

•2-amino-4H-naphthopyran-3-carbonitrile (1–16a) derivatives and 2-amino-4H-naphthopyran-3-carbonitrile (17–19b) derivatives were synthesized and characterized.•Derivatives 5a, 1a, 2a, 7a, 12a, 6a, 8a, and 9a exhibited the highest anticancer activity against human colon colorectal (HCT116).•Molecular docking study indicated that anticancer activities of derivatives were potentially through inhibition of human CK-2 kinase.

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关键词

Drug design,Synthesis, 1,4- naphthoquinone,Cancer, colon cancer,Docking

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