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Synthesis and docking studies of three new diaminochromenes as potential leads for anticancer drugs
Journal of Biomolecular Structure and Dynamics ( IF 2.7 ) Pub Date : 2020-06-29 , DOI: 10.1080/07391102.2020.1784284
Mariana de Oliveira Tonelli Nogueira 1 , Joyce Sobreiro Francisco Diz de Almeida 2 , Tanos Celmar Costa Franca 2, 3 , José Daniel Figueroa-Villar 1
Affiliation  

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



中文翻译:

三种新型二氨基色烯作为抗癌药物潜在先导物的合成和对接研究

摘要

在这项工作中,新的二氨基色烯:2,5-dimono-8-methoxychromeno[4,3,2- de ][1,6] naphthyridine-4-carbonitrile ( 4 ), 8-ethoxy-2-imino-3, 4-dihydro-2 H -chromene-3-carbonitrile-4-malononitrile ( 5 ), 2,5-diamino-8-ethoxychromene[4,3,2- de ][1,6]naphthyridine-4-carbonotrile ( 6 ),使用1 H、13 C、APT、gHSQC、gHMBC、ROESY-1D 和门控去耦通过 600 MHz 合成并完全表征13C. 进一步的对接研究表明,这些化合物能够嵌入 Drew-Dickerson Dodecamer DNA,因此可以作为有效化合物减少癌症放射治疗。

由 Ramaswamy H. Sarma 交流

更新日期:2020-06-29
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