Synthesis, characterization of benzimidazole carboxamide derivatives as potent anaplastic lymphoma kinase inhibitor and antioxidant activity

Novel benzimidazole carboxamide derivatives have been synthesized and characterized by FTIR, NMR, and mass spectral analysis. The synthesized compounds 7a, 7d, and 7f showed excellent scavenging capacity against DPPH radical and the results are comparable with ascorbic acid. In-silico molecular dock...

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Bibliographic Details
Published in:Synthetic communications 2019-01, Vol.49 (2), p.266-278
Main Authors: Sam Daniel Prabu, D., Lakshmanan, Sivalingam, Ramalakshmi, N., Thirumurugan, K., Govindaraj, Dharman, Antony, S. Arul
Format: Article
Language:English
Subjects:
ALK
antioxidant activity
Antioxidants
Ascorbic acid
benzimidazole carboxamide derivatives
Derivatives
DFT study
Energy gap
Lymphoma
Molecular docking
Molecular orbitals
NMR
Nuclear magnetic resonance
Scavenging
Synthesis
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Summary:Novel benzimidazole carboxamide derivatives have been synthesized and characterized by FTIR, NMR, and mass spectral analysis. The synthesized compounds 7a, 7d, and 7f showed excellent scavenging capacity against DPPH radical and the results are comparable with ascorbic acid. In-silico molecular docking studies exhibited compounds 7a, 7d, and 7f had a good affinity towards the active pocket and the results indicated the ability of potent and selective inhibition of anaplastic lymphoma kinase (ALK) receptor. The theoretical investigation of MEPs, HOMO, LUMO, and the energy gap of HOMO-LUMO were calculated by B3LYP/6-31G method and reactivity descriptors were also computed.
ISSN:0039-7911
1532-2432
DOI:10.1080/00397911.2018.1554144