Vasantha Kumar and Rai, Vaishali M. and Vishwanatha, Udupi and Naveen, S. and Pai, Vinitha R. and Lokanath, N. K. and Poojary, Boja (2021) Synthesis, crystal structure, anticancer and molecular docking studies of quinolinone-thiazolidinone hybrid molecules. Journal of the Iranian Chemical Society, 19 (3). pp. 793-808.
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Abstract
A new series of quinolone-thiazolidinone hybrid molecules 8a-o were prepared. Quinoline compounds were synthesized by Meth-Cohn synthesis and were condensed with 2,3-disubstituted thiazolidinone. These molecules were screened for their anticancer activities against MDA-MB-231 and MCF-7 cell line using MTT assay. Potent compounds were tested for their cytotoxicity on normal HEK 293 cell lines and most potent compound was tested for its cell cycle analysis. Molecular docking and molecular dynamic studies were performed on human N-acetyl transferase (hNAT-1) protein using Schrodinger molecular docking toolkit. Compound 8n emerged as potent with IC50 8.16 mu M against MDA-MB-231 cell line followed by 8e with IC50 17.68 mu M. Compound 8n arrested cell cycle at G2/M phase and was non-toxic to human normal kidney cell line. The potent compound 8n binds well with human NAT-1 protein with remarkable hydrogen bonding and pi-pi interactions. Molecular dynamic studies of 8n further confirm the target for these molecules. Target quinolinone-thiazolidinones were found to be new class of compounds targeting hNAT-1 and can serve as new lead compounds in drug discovery.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | Quinolinone; Thiazolidinone; Anticancer activity; hNAT-1 inhibitor; Docking studies |
| Subjects: | D Physical Science > Physics |
| Divisions: | Department of > Physics |
| Depositing User: | Mr Umendra uom |
| Date Deposited: | 07 Mar 2022 05:18 |
| Last Modified: | 08 Dec 2022 10:55 |
| URI: | http://eprints.uni-mysore.ac.in/id/eprint/17251 |
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