In vitro and in silico studies of nitrobenzamide derivatives as potential anti-neuroinflammatory agents

Kulabas, Seda Savranoglu; Önder, Ferah Cömert; Yılmaz, Yakup Berkay; Ozleyen, Adem; Durdağı, Serdar; Şahin, Kader; Ay, Mehmet Oğuzhan; Tumer, Tugba Boyunegmez

doi:10.1080/07391102.2019.1684368

Cited by 4 publications

(3 citation statements)

References 15 publications

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“…Our results exhibited the strong inhibition potentials of the compounds on breast cancer cells. In addition, we reported these compounds ( 1 a – 1 h ) as potential anti‐neuroinflammatory agents in our previous study [44] …”

Section: Resultsmentioning

confidence: 92%

“…In addition, we reported these compounds (1 a-1 h) as potential anti-neuroinflammatory agents in our previous study. [44] Based on the literature findings, there are many of small molecules reported as IRAK1 and IRAK4 inhibitors to be used in cancer therapy in the literature. [45,46] For instance, a macrocyclic compound pacritinib (IC 50 6 nM and 177 nM for IRAK1 and IRAK4, respectively, was developed.…”

Section: Ligandsmentioning

confidence: 99%

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Nitro Compounds Inhibit Breast Cancer Cell Proliferation, Migration, and Colony Formation: Molecular Docking, Molecular Dynamics Simulations and Pharmacological Properties

Comert Onder,

Sahin,

Davutlar

et al. 2023

ChemistrySelect

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In this study, the concept of combined in vitro and in silico studies were utilized by using some synthesized nitro bearing compounds. The anticancer activities of the studied compounds were performed by using colony formation analysis, cell cytotoxicity, and migration. Nitro group containing two compounds were analyzed using Hoechst staining to indicate the morphological changes on the nuclei of cancer cells under fluorescence microscopy. Scanning electron microscopy (SEM) analysis was performed with N,N‐dibutyl‐nitro‐substituted compound. Nitro containing anticancer agents were shown the inhibition at 1.5 μM and 2 μM concentrations, and nuclear apoptosis was detected. In addition, cell‐to‐cell interaction on MDA‐MB‐231 cells was broken and observed morphologic changes following the treatment with N,N‐dibutyl‐nitro‐substituted compound at the effective doses. In general, the other nitro compounds showed cell cytotoxicity at 5 μM, 10 μM, and 20 μM. Two hits as anticancer agents were determined as potential interleukin‐1 receptor‐associated kinase 1 (IRAK1) and interleukin‐1 receptor‐associated kinase 4 (IRAK4) inhibitor candidates. Molecular docking and molecular dynamics (MD) simulations studies will provide that the binding patterns with specific residues such as Met265, Tyr284 of the IRAK family members, and these will contribute to further in vitro and in vivo studies for targeted breast cancer therapy.

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Section: Resultsmentioning

confidence: 92%

Section: Ligandsmentioning

confidence: 99%

Nitro Compounds Inhibit Breast Cancer Cell Proliferation, Migration, and Colony Formation: Molecular Docking, Molecular Dynamics Simulations and Pharmacological Properties

Comert Onder,

Sahin,

Davutlar

et al. 2023

ChemistrySelect

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“…Therefore, it is the first spontaneously immortalized microglial cell clone behaving in a way comparable to primary microglial cells and is capable of switching its phenotype to the inflammatory profile when challenged with lipopolysaccharide (LPS) or Aβ. Since the number of research studies with this novel cell line is very limited, 6,7 herein our study also establishes novel information on the regulation of major inflammatory pathways and expression levels of some key proteins (such as PPARγ and Nrf2) under LPS challenge, which was not addressed before in this new, model cell line.…”

mentioning

confidence: 99%

Multitarget Profiling of a Strigolactone Analogue for Early Events of Alzheimer’s Disease: In Vitro Therapeutic Activities against Neuroinflammation

Kurt

Ozleyen

Antika

et al. 2020

ACS Chem. Neurosci.

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Neuropathological changes in Alzheimer's disease (AD) are directly linked to the early inflammatory microenvironment in the brain. Therefore, disease-modifying agents targeting neuroinflammation may open up new avenues in the treatment of AD. Strigolactones (SLs), subclasses of structurally diverse and biologically active apocarotenoids, have been recently identified as novel phytohormones. In spite of the remarkable anticancer capacity shown by SLs, their effects on the brain remained unexplored. Herein, the SIM-A9 microglial cell line was used as a phenotypic screening tool to search for the representative SL, GR24, demonstrating marked potency in the suppression of lipopolysaccharide (LPS)-induced neuroinflammatory/neurotoxic mediators by regulating NF-κB, Nrf2, and PPARγ signaling. GR24 also in the brain endothelial cell line bEnd.3 mitigated the LPS-increased permeability as evidenced by reduced Evans' blue extravasation through enhancing the expression of tight junction protein, occludin. Collectively, the present work shows the anti-neuroinflammatory and glia/neuroprotective properties of GR24, making SLs promising scaffolds for the development of novel anti-AD candidates.

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New nimesulide derivatives with amide/sulfonamide moieties: Selective COX-2 inhibition and antitumor effects

Güngör

Ozleyen

Yılmaz

et al. 2021

European Journal of Medicinal Chemistry

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In vitro and in silico studies of nitrobenzamide derivatives as potential anti-neuroinflammatory agents

Cited by 4 publications

References 15 publications

Nitro Compounds Inhibit Breast Cancer Cell Proliferation, Migration, and Colony Formation: Molecular Docking, Molecular Dynamics Simulations and Pharmacological Properties

Nitro Compounds Inhibit Breast Cancer Cell Proliferation, Migration, and Colony Formation: Molecular Docking, Molecular Dynamics Simulations and Pharmacological Properties

Multitarget Profiling of a Strigolactone Analogue for Early Events of Alzheimer’s Disease: In Vitro Therapeutic Activities against Neuroinflammation

New nimesulide derivatives with amide/sulfonamide moieties: Selective COX-2 inhibition and antitumor effects

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