Design, synthesis and SAR of novel 7-azaindole derivatives as potential Erk5 kinase inhibitor with anticancer activity

Zhang, Qin; Gao, Xintao; Duan, Xiyu; Liang, Han; Gao, Mingyuan; Dong, Dianquan; Guo, Chuanlong; Huang, Longjiang

doi:10.1016/j.bmc.2023.117503

Cited by 2 publications

(1 citation statement)

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“…[198] Given that most research underscores ERK5's role in fostering cancer progression, current drug development targeting ERK5 predominantly focuses on inhibitors. Presently, XMD8-92 [204,205], BIX02188, and BIX02189 [206] are extensively utilized, alongside various natural or synthetic compounds, largely informed by findings from other cancer studies [148,198,[207][208][209][210][211][212][213][214][215][216]. Although significant advancements have been made in targeted osteosarcoma therapy in recent years [217], research on targeting ERK5 in osteosarcoma treatment remains scarce.…”

Section: Drugsmentioning

confidence: 99%

Bone and Extracellular Signal-Related Kinase 5 (ERK5)

Wen,

Liu,

Zhou

et al. 2024

Biomolecules

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Bones are vital for anchoring muscles, tendons, and ligaments, serving as a fundamental element of the human skeletal structure. However, our understanding of bone development mechanisms and the maintenance of bone homeostasis is still limited. Extracellular signal-related kinase 5 (ERK5), a recently identified member of the mitogen-activated protein kinase (MAPK) family, plays a critical role in the pathogenesis and progression of various diseases, especially neoplasms. Recent studies have highlighted ERK5’s significant role in both bone development and bone-associated pathologies. This review offers a detailed examination of the latest research on ERK5 in different tissues and diseases, with a particular focus on its implications for bone health. It also examines therapeutic strategies and future research avenues targeting ERK5.

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Section: Drugsmentioning

confidence: 99%

Bone and Extracellular Signal-Related Kinase 5 (ERK5)

Wen,

Liu,

Zhou

et al. 2024

Biomolecules

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Structural, Vibrational Spectroscopic and Theoretical (DFT) Studies of 4-Chloro- and 5-Chloro-7-azaindole-3-carbaldehydes

Mucha,

Bąkowicz,

Malik

et al. 2024

Crystals

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Molecular structures of 5-chloro-7-azaindole-3-carbaldehyde (5Cl7AICA) and 4-chloro-7-azaindole-3-carbaldehyde (4Cl7AICA) were investigated using infrared and Raman spectroscopy supported by density functional theory (DFT) calculations. Theoretical studies were carried out with three DFT methods, which include dispersion corrections: B3LYP-D3, PBE0-D3, and ωB97X-D. A single-crystal X-ray diffraction analysis was performed for 5Cl7AICA. The compound crystallizes in the monoclinic system, space group P21/c, with lattice parameters a = 3.82810(12) Å, b = 12.7330(3) Å, c = 15.9167(5) Å, and β = 94.539(3)°, with Z = 4. Within the crystal lattice, 5Cl7AICA molecules form dimers via dual and strong N1–H1⋅⋅⋅N7′ hydrogen bonds, accompanied by other intermolecular interactions. In the DFT calculations, two types of dimers of the investigated molecules were analyzed: dimer 1, which is present in the crystal structure of 5Cl7AICA, and dimer 2 displaying a 180° rotation of the aldehyde group compared to dimer 1. Computational results indicate that dimer 1 is more stable than dimer 2 for 5Cl7AICA, whereas dimer 2 is more stable than dimer 1 for 4Cl7AICA molecules. Furthermore, experimental and theoretical vibrational spectra were examined to elucidate the influence of internal rotation of the aldehyde group on spectroscopic properties.

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Design, synthesis and SAR of novel 7-azaindole derivatives as potential Erk5 kinase inhibitor with anticancer activity

Cited by 2 publications

References 33 publications

Bone and Extracellular Signal-Related Kinase 5 (ERK5)

Bone and Extracellular Signal-Related Kinase 5 (ERK5)

Structural, Vibrational Spectroscopic and Theoretical (DFT) Studies of 4-Chloro- and 5-Chloro-7-azaindole-3-carbaldehydes

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