دورية أكاديمية
Design, synthesis, and antitumor efficacy of novel 5-deazaflavin derivatives backed by kinase screening, docking, and ADME studies
| العنوان: | Design, synthesis, and antitumor efficacy of novel 5-deazaflavin derivatives backed by kinase screening, docking, and ADME studies |
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| المؤلفون: | Walaa A. Bedewy, Mosaad S. Mohamed, Ahmed M. Abdelhameed, Mohamed A. Elsawy, Mohammed Al-Muhur, Noriyuki Ashida, Ashraf N Abdalla, Tamer A. Elwaie, Tomohisa Nagamatsu, Hamed I. Ali |
| المصدر: | Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 38, Iss 1 (2023) |
| بيانات النشر: | Taylor & Francis Group, 2023. |
| سنة النشر: | 2023 |
| المجموعة: | LCC:Therapeutics. Pharmacology |
| مصطلحات موضوعية: | 5-Deazaflavin, antitumor, molecular docking, kinase profiling, ADME, Therapeutics. Pharmacology, RM1-950 |
| الوصف: | AbstractNovel 5-deazaflavins were designed as potential anticancer candidates. Compounds 4j, 4k, 5b, 5i, and 9f demonstrated high cytotoxicity against MCF-7 cell line with IC50 of 0.5–190nM. Compounds 8c and 9g showed preferential activity against Hela cells (IC50: 1.69 and 1.52 μM respectively). However, compound 5d showed notable potency against MCF-7 and Hela cell lines of 0.1 nM and 1.26 μM respectively. Kinase profiling for 4e showed the highest inhibition against a 20 kinase panel. Additionally, ADME prediction studies exhibited that compounds 4j, 5d, 5f, and 9f have drug-likeness criteria to be considered promising antitumor agents deserving of further investigation. SAR study showed that substitutions with 2-benzylidene hydra zino have a better fitting into PTK with enhanced antiproliferative potency. Noteworthy, the incorporation of hydrazino or ethanolamine moieties at position 2 along with small alkyl or phenyl at N-10, respectively revealed an extraordinary potency against MCF-7 cells with IC50 values in the nanomolar range. |
| نوع الوثيقة: | article |
| وصف الملف: | electronic resource |
| اللغة: | English |
| تدمد: | 14756366 1475-6374 1475-6366 |
| العلاقة: | https://doaj.org/toc/1475-6366Test; https://doaj.org/toc/1475-6374Test |
| DOI: | 10.1080/14756366.2023.2220570 |
| الوصول الحر: | https://doaj.org/article/3ccb7b98f09f4334a648b495c54b1ef0Test |
| رقم الانضمام: | edsdoj.3ccb7b98f09f4334a648b495c54b1ef0 |
| قاعدة البيانات: | Directory of Open Access Journals |
Full Text Finder | تدمد: | 14756366 14756374 |
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| DOI: | 10.1080/14756366.2023.2220570 |