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Molecular modelling assisted design of napthalimide-dihydropyrimidinone conjugates as potential cytotoxic agents
2021
Journal of Saudi Chemical Society
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A molecular modelling assisted design of napthalimide-dihydropyrimidinone conjugates as potential cytotoxic agents based on a lead molecule (elinafide) is described. One of the napthalimide moiety and the amino groups in the lead molecule are replaced with dihydropymidinone and methylene motifs, respectively. The resulting chemical templates were subjected to molecular docking analysis at specific DNA intercalation site. Promising docking scores were obtained, which were better than the lead
doi:10.1016/j.jscs.2021.101226
fatcat:5kxbundc6rbqpkomfqz62qnhfy