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

• Published in: Journal of biomolecular structure & dynamics Vol. 39; no. 14; pp. 5005 - 5013
• Main Authors: Tonelli Nogueira, Mariana de Oliveira, Almeida, Joyce Sobreiro Francisco Diz de, Franca, Tanos Celmar Costa, Figueroa-Villar, José Daniel
• Format: Journal Article
• Language: English
• Published: Taylor & Francis 22-09-2021
• Subjects: diaminochromenes; docking; molecular modeling; NMR analysis; Synthesis
• ISSN: 0739-1102; 1538-0254
• DOI: 10.1080/07391102.2020.1784284

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,
13
C, 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