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Anticancer heterocyclic hybrids: design, synthesis, molecular docking and evaluation of new thiazolidinone-pyrazoles.
- Source :
-
Zeitschrift für Naturforschung B: A Journal of Chemical Sciences . Feb2023, Vol. 78 Issue 1/2, p1-16. 16p. - Publication Year :
- 2023
-
Abstract
- In order to obtain potential anticancer agents, hybrid compounds have been synthesized by coupling thiazolidinone and pyrazole scaffolds. Among the synthesized compounds, 2-(1,3-diphenyl-1H-pyrazol-4-yl)-3-phenyl thiazolidin-4-one (4a) was found to be the most potent based on a docking (−9.307) and binding scores (−66.46), along with good ADME parameters. In vitro anticancer activity of compound 4a shows a maximum inhibition against lung cancer (NCI-H23) cell lines with a moderate inhibition rate of 31.01%. Molecular docking studies revealed that these hybrid compounds bind well to the active site of peroxisome proliferator-activated receptors-gamma (PPAR-gamma). Doxorubicin was used as a positive control. It can be concluded that 4a having pyrazole-thiazolidinone ring systems has the potential to be developed as an anticancer agent. [ABSTRACT FROM AUTHOR]
- Subjects :
- *MOLECULAR docking
*ANTINEOPLASTIC agents
*CHEMICAL synthesis
*CELL lines
*PYRAZOLES
Subjects
Details
- Language :
- English
- ISSN :
- 09320776
- Volume :
- 78
- Issue :
- 1/2
- Database :
- Academic Search Index
- Journal :
- Zeitschrift für Naturforschung B: A Journal of Chemical Sciences
- Publication Type :
- Academic Journal
- Accession number :
- 161790326
- Full Text :
- https://doi.org/10.1515/znb-2022-0110