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Evaluation of 6-chloro-N-[3,4-disubstituted-1,3-thiazol-2(3H)-ylidene]-1,3-benzothiazol-2-amine Using Drug Design Concept for Their Targeted Activity Against Colon Cancer Cell Lines HCT-116, HCT15, and HT29

Ming-Li Zhu, Cui-Yue Wang, Cheng-Mian Xu, Wei-Ping Bi, Xiu-Ying ZHou

(Department of Gastroenterology, Weihai Central Hospital, Weihai, Shandong, China (mainland))

Med Sci Monit 2017; 23:1146-1155

DOI: 10.12659/MSM.899646

Published: 2017-03-05


BACKGROUND: Colorectal adenocarcinoma is the second leading cause of cancer-related death in the world. The stage of the disease is related to the survival of the patient, and in early phases surgery is the main modality of treatment. The main aim of modern medicinal chemistry is to synthesize small molecules via drug designing, especially by targeting tumor cells.
MATERIAL AND METHODS: A new series of 19 compounds containing benzothiazole and thiazole were designed. Molecular docking studies were performed on the designed series of molecules. Compounds showing good binding affinity towards the EGFR receptor were selected for synthetic studies. Characterization of the synthesized compounds was done by FTIR, 1HNMR, Mass and C, H, N, analysis.
RESULTS: The anticancer evaluation of the synthesized compounds was done at NIC, USA at a single dose against colon cancer cell lines HCT 116, HCT15, and HC 29. The active compounds were further evaluated for the 5-dose testing. Compounds were designed by using docking analysis. To ascertain the interaction of EGFR tyrosine kinase binding, energy calculation was used.
CONCLUSIONS: The results of the present study indicate that the designed compounds show good activity against colon cancer cell lines, which may be further studied to design new potential molecules.

Keywords: Antineoplastic Agents, Benzothiazoles, Colonic Neoplasms, Thiazoles



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