Akili, Souad and Ben Hadda, Djamila and Bitar, Yaser and Balash, Amir and Fawaz Chehna, Mustapha (2021) Design, Synthesis and Characterization of Novel Sulfonamides Derivatives as Anticancer Agent Targeting EGFR TK, and Development of New Methods of Synthesis by Microwave Irradiation. International Journal of Organic Chemistry, 11 (04). pp. 199-223. ISSN 2161-4687
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Abstract
Some novel sulfonamide-derivatives were designed to develop novel kinase inhibitors. The molecular docking study was performed for the designed compounds against epidermal growth factor kinase receptor T790M/L858R (TMLR) (PDB ID: 5EDQ) to identify new drug candidates for treating cancer. Binding free energy was calculated by Molegro virtual docker (MVD) to select the most promising hits. The corresponding docking score values into EGFR (TMLR) of 4b gave the best energy docking -147.213 Kcal/mol. And some of the designed sulfonamide derivatives have been synthesized by conventional method in addition to a microwave-assisted method of synthesis. The reaction of an amino group-containing drug; sulfamethoxazole and sulfanilamide with carbonyl group in benzoyl chloride and phthalic acid in basic media, generated a series of sulfonamide derivatives. The structures of all the synthesized compounds were well characterized by Mass spectrometry (MS), Infrared spectroscopy (IR), 1H nuclear magnetic resonance (1H NMR), 13C nuclear magnetic resonance (13C NMR) and elemental analysis. After obtaining experimental data regarding the yield and the time taken for the synthesis by both the approaches, conventional and microwave-assisted method, it was shown that the microwave-assisted method gave higher yield with shorter time and higher temperature compared to conventional heating methods.
Item Type: | Article |
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Subjects: | Science Repository > Chemical Science |
Depositing User: | Managing Editor |
Date Deposited: | 29 Dec 2022 05:56 |
Last Modified: | 05 Mar 2024 03:42 |
URI: | http://research.manuscritpub.com/id/eprint/687 |