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- Title
Nitroimidazoles Part 9. Synthesis, molecular docking, and anticancer evaluations of piperazine-tagged imidazole derivatives.
- Authors
Al-Soud, Yaseen A.; Al-Ahmad, Ala'a H.; Abu-Qatouseh, Luay; Shtaiwi, Amneh; Alhelal, Kafa' A. S.; Al-Suod, Hossam H.; Alsawakhneh, Sondos O.; Al-Qawasmeh, Raed A.
- Abstract
New piperazine-tagged imidazole derivatives were synthesized via reaction of 1-alkyl/aryl-5-bromo-2-alkyl-4-nitro-1H-imidazoles 1–3 with piperazine nucleophiles. Nine selected compounds were assessed for their antiproliferative inhibition potency against five human cancer cell lines (MCF-7, PC3, Du145, HepG2 and Dermal/Fibroblast). Compounds 7 and 10 are the most potent anticancer agents on HepG2 cell line with IC50 values of (5.6 ± 0.5 µm) and (29.6 ± 7.6 µm) respectively, and on MCF-7 with IC50 values of (32.1 ± 5.6 µm) and (46.2 ± 8.2 µm) respectively. The molecular docking of compounds 7 and 10 has been studied, and the results reveal that the newly designed piperazine-tagged imidazole derivatives bind to the hydrophobic pocket and polar contact with high affinity.
- Subjects
MOLECULAR docking; IMIDAZOLES; PIPERAZINE; NITROIMIDAZOLES; MOLECULES; CELL lines; FIBROBLASTS
- Publication
Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2021, Vol 76, Issue 5, p293
- ISSN
0932-0776
- Publication type
Article
- DOI
10.1515/znb-2020-0200