Molecular docking simulation and anticancer assessment on human breast carcinoma cell line using novel bis(1,4-dihydropyrano[2,3-c] pyrazole-5-carbonitrile) and bis(1,4-dihydropyrazolo[4′,3′: 5,6] pyrano [2,3-b] pyridine-6-carbonitrile) derivatives

被引：70

作者：

Salama, Soad K. ^{[1
]}

Mohamed, Magda F. ^{[2
]}

Darweesh, Ahmed F. ^{[1
]}

Elwahy, Ahmed H. M. ^{[1
]}

Abdelhamid, Ismail A. ^{[1
]}

机构：

[1] Cairo Univ, Fac Sci, Chem Dept, Giza, Egypt

[2] Cairo Univ, Fac Sci, Biochem Branch, Dept Chem, Giza, Egypt

来源：

BIOORGANIC CHEMISTRY | 2017年 / 71卷

关键词：

Bis-aldehydes; Malononitrile; Bis-arylidenemalononitriles; Multicomponent reactions; Bis(1,4-dihydropyrano[2,3-c]pyrazole-5carbonitrile); Docking studies; Cytotoxic assay; MTT; SUBSTITUTED MACROCYCLIC LIGANDS; DIFUNCTIONAL HETEROCYCLES; MOLLUSCICIDAL ACTIVITY; CONVENIENT SYNTHESIS; AZAENAMINES; CANCER; ENAMINES; TRIAZOLE; GROWTH; AGENTS;

D O I：

10.1016/j.bioorg.2017.01.009

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：

An efficient route for the synthesis of novel bis(1,4-dihydropyrano[2,3-c] pyrazole-5-carbonitrile) derivatives is reported. The synthetic pathway involves one pot, synthesis of bis-aldehydes, malononitrile, and pyrazolone in the presence of pyridine. The anticancer activity of the synthesized products against MCF7, HEPG2, and A549 cell lines was assessed. Docking studies were performed and indicated the best binding mode compared to the standard ligand sorafenib. (C) 2017 Elsevier Inc. All rights reserved.

引用

页码：19 / 29

页数：11

共 41 条

[1] A facile and efficient synthetic approach to novel lariat macrocyclic diamides and bis macrocyclic diamides [J].