Synthesis and docking studies of three new diaminochromenes as potential leads for anticancer drugs

Abstract

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 ¹H, ¹³C, APT, gHSQC, gHMBC, ROESY-1D and gated decoupling ¹³C. 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.

Keywords: NMR analysis; Synthesis; diaminochromenes; docking; molecular modeling.