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

Autor:	Sivalingam Lakshmanan, Dharman Govindaraj, K. Thirumurugan, D. Sam Daniel Prabu, N. Ramalakshmi, S. Arul Antony
Rok vydání:	2019
Předmět:	Benzimidazole Antioxidant 010405 organic chemistry medicine.drug_class Stereochemistry medicine.medical_treatment Organic Chemistry Carboxamide 010402 general chemistry 01 natural sciences 0104 chemical sciences chemistry.chemical_compound chemistry medicine Anaplastic lymphoma kinase Spectral analysis
Zdroj:	Synthetic Communications. 49:266-278
ISSN:	1532-2432 0039-7911
DOI:	10.1080/00397911.2018.1554144
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::808b25b6695a5b414d9ed324b91d11d4 https://doi.org/10.1080/00397911.2018.1554144 Zobrazit plný text záznamu Plný text ve formátu PDF Plný text ve formátu HTML
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