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Synthesis, Characterization, and Molecular Docking of Novel bis ‐thiazolyl Thienothiophene Derivatives as Promising Cytotoxic Antitumor Drug
Author(s) -
Gomha Sobhi M.,
ElHashash Maher A.,
Edrees Mastoura M.,
ElArab Elham Ezz
Publication year - 2017
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.2869
Subject(s) - chemistry , thiazole , docking (animal) , stereochemistry , active site , combinatorial chemistry , thiophene , cisplatin , biological activity , semicarbazone , in vitro , organic chemistry , enzyme , biochemistry , medicine , nursing , surgery , chemotherapy
A novel, facile reaction for the synthesis of series of bis ‐thiazole derivatives has been developed from the reaction of the appropriate thiosemicarbazone derivatives and bis ‐2‐bromoacetylthieno[2,3‐ b ]thiophene derivatives in ethanol under reflux. The structures of the newly synthesized products were established on the basis of spectral data (mass, IR, and 1 H and 13 C NMR) and elemental analyses. Fifteen compounds of the synthesized compounds were evaluated for their anticancer activity against human liver hepatocellular carcinoma cell line (HepG2). All compounds showed anticancer activity but differs in potency comparable with the reference drug Cisplatin. Moreover, molecular docking study using MOE software predicted the best binding mode between the most active compound 5o into the active site of human heat‐shock protein 90. The computational studies are confirming the results in biological activity.