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- Title
Anticancer heterocyclic hybrids: design, synthesis, molecular docking and evaluation of new thiazolidinone-pyrazoles.
- Authors
Shrivastava, Neelima; Khan, Shah Alam; Alam, Mohammad Mumtaz; Akhtar, Mymoona; Srivastava, Apeksha; Husain, Asif
- 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.
- Subjects
MOLECULAR docking; ANTINEOPLASTIC agents; CHEMICAL synthesis; CELL lines; PYRAZOLES
- Publication
Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2023, Vol 78, Issue 1/2, p1
- ISSN
0932-0776
- Publication type
Article
- DOI
10.1515/znb-2022-0110