《Design, Synthesis, and Molecular Modeling Studies of Novel Coumarin Carboxamide Derivatives as eEF-2K Inhibitors》 was published in Journal of Chemical Information and Modeling in 2020. These research results belong to Comert Onder, Ferah; Durdagi, Serdar; Sahin, Kader; Ozpolat, Bulent; Ay, Mehmet. HPLC of Formula: 109-01-3 The article mentions the following:
Eukaryotic elongation factor-2 kinase (eEF-2K) is an unusual alpha kinase commonly upregulated in various human cancers, including breast, pancreatic, lung, and brain tumors. We have demonstrated that eEF-2K is relevant to poor prognosis and shorter patient survival in breast and lung cancers and validated it as a mol. target using genetic methods in related in vivo tumor models. Although several eEF-2K inhibitors have been published, none of them have shown to be potent and specific enough for translation into clin. trials. Therefore, development of highly effective novel inhibitors targeting eEF-2K is needed for clin. applications. However, currently, the crystal structure of eEF-2K is not known, limiting the efforts for designing novel inhibitor compounds Therefore, using homol. modeling of eEF-2K, we designed and synthesized novel coumarin-3-carboxamides including compounds (I) and (II) and evaluated their activity by performing in silico anal. and in vitro biol. assays in breast cancer cells (structures contained within. The Mol. Mechanics/Generalized Born Surface Area (MM/GBSA) area results showed that I have interaction energies with eEF-2K better than those of II compounds Our in vitro results indicated that compounds I were highly effective in inhibiting eEF-2K at 1.0 and 2.5μM concentrations compared to compounds II, supporting the in silico findings. In conclusion, the results of this study suggest that our homol. modeling along with in silico anal. may be effectively used to design inhibitors for eEF-2K. Our newly synthesized compounds I may be used as novel eEF-2K inhibitors with potential therapeutic applications.1-Methylpiperazine(cas: 109-01-3HPLC of Formula: 109-01-3) was used in this study.
1-Methylpiperazine(cas: 109-01-3) can be used as mimic template in the preparation of molecularly imprinted microspheres (MIMs). It was also used to prepare the difunctional strong anion-exchange stationary phase from a 1,4-diazacyclohexane derivative..HPLC of Formula: 109-01-3
Referemce:
Piperazine – Wikipedia,
Piperazines – an overview | ScienceDirect Topics