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

被引：0

作者：

Tonelli Nogueira, Mariana de Oliveira ^{[1
]}

Francisco Diz de Almeida, Joyce Sobreiro ^{[2
]}

Costa Franca, Tanos Celmar ^{[2
,3
]}

Figueroa-Villar, Jose Daniel ^{[1
]}

机构：

[1] Mil Inst Engn, Dept Chem, Med Chem Grp, Rio De Janeiro, RJ, Brazil

[2] Mil Inst Engn, Lab Mol Modeling Appl Chem & Biol Def LMCBD, Rio De Janeiro, RJ, Brazil

[3] Univ Hradec Kralove, Fac Sci, Dept Chem, Hradec Kralove, Czech Republic

来源：

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS | 2021年 / 39卷 / 14期

关键词：

Synthesis; NMR analysis; molecular modeling; docking; diaminochromenes; COUPLING-CONSTANTS; DERIVATIVES; ACID; CHEMISTRY; SHIFT; NMR; DNA;

D O I：

10.1080/07391102.2020.1784284

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

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

引用

页码：5005 / 5013

页数：9

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