Molecular Docking study, and In vitro Evaluation of Antitumor Activity of Some New Isoxazoline and Pyrazoline Derivatives of Nabumetone against breast cancer cell line (MCF-7)

A variety of new pyrazolines, isoxazolines, and amide derivatives were designed, synthesized, and tested in vitro for their cytotoxic potential against the breast cancer cell line MCF-7. Nabumetone is a prodrug that is used as non-steroidal anti-inflammatory drug   (NSAID). Before synthesis, the Mol...

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Main Authors: Kanar Muthanna Alawad (Author), Monther Faisal Mahdi (Author), Ayad M.R. Raauf (Author)
Format: Book
Published: College of Pharmacy / Mustansiriyah University, 2022-10-01T00:00:00Z.
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100 1 0 |a Kanar Muthanna Alawad  |e author 
700 1 0 |a Monther Faisal Mahdi  |e author 
700 1 0 |a Ayad M.R. Raauf  |e author 
245 0 0 |a Molecular Docking study, and In vitro Evaluation of Antitumor Activity of Some New Isoxazoline and Pyrazoline Derivatives of Nabumetone against breast cancer cell line (MCF-7) 
260 |b College of Pharmacy / Mustansiriyah University,   |c 2022-10-01T00:00:00Z. 
500 |a 10.32947/ajps.v22i3.886 
500 |a 1815-0993 
500 |a 2959-183X 
520 |a A variety of new pyrazolines, isoxazolines, and amide derivatives were designed, synthesized, and tested in vitro for their cytotoxic potential against the breast cancer cell line MCF-7. Nabumetone is a prodrug that is used as non-steroidal anti-inflammatory drug   (NSAID). Before synthesis, the Molecular docking program (GOLD suite v. 5.7.1) was used to evaluate the selectivity for ER-α receptor, which demonstrated good agreement with the in vitro findings. Specifically, compounds 1e and 2e that target the ER- α receptor had the greatest PLP fitness values of (75.61 and 73.36), respectively, when compared to the tamoxifen reference medication, which had a PLP fitness of (92.78). The IC50 values for the synthesized compounds revealed that compound (1e) has a high IC50 value of 19 µM against MCF-7, compared to tamoxifen, which has an IC50 value of (18.02) µM.   
546 |a EN 
690 |a Nabumetone, Pyrazoline, Isoxazoline, Docking Study, Breast Cancer. 
690 |a Pharmacy and materia medica 
690 |a RS1-441 
655 7 |a article  |2 local 
786 0 |n Al-Mustansiriyah Journal of Pharmaceutical Sciences, Vol 22, Iss 3 (2022) 
787 0 |n https://ajps.uomustansiriyah.edu.iq/index.php/AJPS/article/view/886 
787 0 |n https://doaj.org/toc/1815-0993 
787 0 |n https://doaj.org/toc/2959-183X 
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