Article ; Online: Synthesis and molecular docking of some new thiazolidinone and thiadiazole derivatives as anticancer agents.
2024 , Page(s) e202301870
Abstract: New sets of functionalized thiazolidinone and thiadiazole derivatives were synthesized, and their cytotoxicity was evaluated on HepG2, MCF-7, HTC-116, and WI38 cells. The synthetic approach is based on the preparation of 4-(4-acetamidophenyl) ... ...
Abstract | New sets of functionalized thiazolidinone and thiadiazole derivatives were synthesized, and their cytotoxicity was evaluated on HepG2, MCF-7, HTC-116, and WI38 cells. The synthetic approach is based on the preparation of 4-(4-acetamidophenyl)thiosemicarbazide (4) and their thiosemicarbazones 5a-e, which are converted to the corresponding thiazoldin-4-one compounds 6a-e upon cyclization with ethyl bromoacetate. The thiadiazole compounds 9 and 12 were obtained by reacting 4-(4-acetamidophenyl)thiosemicarbazide with isothiocyanates and/or ethyl 2-cyano-3,3-bis(methylthio)acrylate, respectively. The thiazolidinone compounds 6c and 6e exhibited strong cytotoxicity against breast cancer cells, with an IC50 (6.70±0.5 µM) and IC50 (7.51±0.8 µM), respectively, very close to that of doxorubicin (IC50: 4.17±0.2 µM). In addition, the anti-cancer properties of the tested thiazolidinone and thiadiazole scaffolds were further explored by the molecular docking program (MOE)-(PDB Code-1DLS). Compounds 5d, 5e, 6d, 6e, and 7 have the best binding affinity, ranging from -8.5386 kcal.mol-1 to -8.2830 kcal.mol-1. |
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Language | English |
Publishing date | 2024-03-27 |
Publishing country | Switzerland |
Document type | Journal Article |
ZDB-ID | 2139001-0 |
ISSN | 1612-1880 ; 1612-1872 |
ISSN (online) | 1612-1880 |
ISSN | 1612-1872 |
DOI | 10.1002/cbdv.202301870 |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
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