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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College of Pharmacy / Mustansiriyah University,
2022-10-01T00:00:00Z.
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LEADER | 00000 am a22000003u 4500 | ||
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001 | doaj_4a2ec9c96b5b45f0b84d93a8ecdb078e | ||
042 | |a dc | ||
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 | |
856 | 4 | 1 | |u https://doaj.org/article/4a2ec9c96b5b45f0b84d93a8ecdb078e |z Connect to this object online. |