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http://dspace.nuph.edu.ua/handle/123456789/25076
Название: | DFT, anticancer, antioxidant and molecular docking investigations of some ternary Ni(II) complexes with 2‐[(E)‐[4‐(dimethylamino) phenyl]methyleneamino]phenol |
Авторы: | Mohapatra, Ranjan K. El‐ajaily, Marei M. Alassbaly, Faten S. Sarangi, Ashish K. Das, Debadutta Maihub, Abdussalam A. Ben‐Gweirif, Salha F. Mahal, Ahmed Suleiman, M. Perekhoda, L. Azam, Mohammad Al‐Noor, Taghreed H. |
Ключевые слова: | Ternary Ni(II) complexes;DFT;Anticancer;Antioxidant;Docking studies |
Дата публикации: | 2020 |
Библиографическое описание: | DFT, anticancer, antioxidant and molecular docking investigations of some ternary Ni(II) complexes with 2‐[(E)‐[4‐(dimethylamino) phenyl]methyleneamino]phenol / R. K. Mohapatra, M. M. El‐ajaily, F. S. Alassbaly, A. K. Sarangi, D. Das, A. A. Maihub, S. F. Ben‐Gweirif, A Mahal, M. Suleiman, L. Perekhoda, M. Azam, T. H. Al‐Noor // Chemical Papers. – 2020. – Vol. 75. – P. 1005–1019. |
Краткий осмотр (реферат): | The biological activities of some ternary nickel complexes with a Schif base obtained from 4-dimethylaminobenzaldehyde and 2-aminophenol have been reported. The Schif base (HL1) acts as a primary ligand whereas, anthranilic acid (HL2), 2-nitroaniline (HL3), alanine (HL4) and histidine (HL5) act as secondary ligand or co-ligand. The anticancer activity of these compounds was studied against human colon carcinoma (HCT-116), human hepatocellular liver carcinoma (HEPG-2) and human breast carcinoma (MCF-7) cell lines. As per the results, the compounds were active against the cell lines. The antioxidant activity of the same compounds was evaluated using DPPH (1,1-diphenyl-2-picryl-hydrazyl) radical scaveng- ing and compared with ascorbic acid. The DFT computations for these compounds were made to understand the bonding mode by a GAUSSIAN 09 program. Moreover, a docking analysis using Autodock 4.2 software package was carried out against the tyrosine kinase receptor (PDB ID: 1M17). In addition, QSAR investigation was also performed to understand the biological potency of the ligand. |
URI (Унифицированный идентификатор ресурса): | http://dspace.nuph.edu.ua/handle/123456789/25076 |
Располагается в коллекциях: | Наукові публікації кафедри медичної хiмiї |
Файлы этого ресурса:
Файл | Описание | Размер | Формат | |
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Chem_Papers_RKM_2020.pdf | 3,21 MB | Adobe PDF | Просмотреть/Открыть |
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