Design, efficient synthesis and molecular docking of some novel thiazolyl-pyrazole derivatives as anticancer agents.

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2019
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Abstract
Pyrazoles, thiazoles and fused thiazoles have been reported to possess many biological activities. 3-Methyl-5-oxo-4-(2-arylhydrazono)-4,5-dihydro-1-pyrazole-1-carbothioamides , (obtained from the reaction of ethyl 3-oxo-2-(2-arylhydrazono)butanoates , with thiosemicarbazide) could be transformed into a variety of thiazolyl-pyrazole derivatives -, -, -, , and via their reaction with a diversity hydrazonoyl chlorides as well as bromoacetyl derivatives. Moreover, the computational studies were carried out for all new compounds. The results indicated that five compounds showed promising binding affinities : - 3.4 kcal/mol, : - 3.0 kcal/mol, : - 2.2 kcal/mol, : - 1.6 kcal/mol, and : - 1.3 kcal/mol) against the active site of the epidermal growth factor receptor kinase (EGFR). The cytotoxicity of the potent products , , , , and was examined against human liver carcinoma cell line (HepG-2) and revealed activities close to Doxorubicin standard drug. There was an understanding between the benefits of restricting affinities and the data obtained from the practical anticancer screening of the tested compounds.
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sayed2019designbmc Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Sayed, Abdelwahed R;Gomha, Sobhi M;Abdelrazek, Fathy M;Farghaly, Mohamed S;Hassan, Shaimaa A;Metz, Peter;
Journal bmc chemistry
Year 2019
DOI
10.1186/s13065-019-0632-5
URL
Keywords
molecular docking anticancer activity coupling reaction cyclocondensation hydrazonoyl halides pyrazolones

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