Synthesis And Docking Studies Of Three New Diaminochromenes As Potential Leads For Anticancer Drugs
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS(2021)
摘要
In this work, the new diaminochromenes: 2,5-dimono-8-methoxychromeno[4,3,2-de][1,6]naphthyridine-4-carbonitrile (4), 8-ethoxy-2-imino-3,4-dihydro-2H-chromene-3-carbonitrile-4-malononitrile (5), 2,5-diamino-8-ethoxychromene[4,3,2-de][1,6]naphthyridine-4-carbonotrile (6), were synthesized and fully characterized through 600 MHz using(1)H,C-13, APT, gHSQC, gHMBC, ROESY-1D and gated decoupling(13)C. Further docking studies suggested that these compounds are capable of intercalating with the Drew-Dickerson Dodecamer DNA and, therefore, be candidates to work as effective compounds to decrease the cancer radiotherapy. Communicated by Ramaswamy H. Sarma
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关键词
Synthesis, NMR analysis, molecular modeling, docking, diaminochromenes
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