| dc.creator |
İLHAN, İLHAN ÖZER |
|
| dc.creator |
TÜZÜN, BURAK |
|
| dc.creator |
AKKURT, MEHMET |
|
| dc.creator |
AKKOÇ, Senem |
|
| dc.date |
2020-10-31T21:00:00Z |
|
| dc.date.accessioned |
2021-01-21T08:02:26Z |
|
| dc.date.available |
2021-01-21T08:02:26Z |
|
| dc.identifier |
35fdb157-9baa-4d92-8c96-d507820fbfff |
|
| dc.identifier |
10.1016/j.molstruc.2020.128582 |
|
| dc.identifier |
https://avesis.sdu.edu.tr/publication/details/35fdb157-9baa-4d92-8c96-d507820fbfff/oai |
|
| dc.identifier.uri |
http://acikerisim.sdu.edu.tr/xmlui/handle/123456789/80407 |
|
| dc.description |
This article reports studies on benzimidazole based heterocyclic compounds (S3 -S5). X-ray diffraction technique was applied to study the structure of (C23H19N4O2)(+).Br-.H2O, namely 1-[(2-cyanophenyl) methyl]-3-[2-(4-nitrophenyl)ethyl]-1H-benzimidazol-3-ium bromide monohydrate (S3). The molecules are linked by C-H/Br hydrogen bonds in the crystal and there are pi-pi stacking interactions between the centroids of the benzene ring in the benzimidazole nucleus. The theoretical, and chemical data of S3-S5 were compared with experimental calculations via NMR, IR, and UV-Vis spectra of the molecules. Afterwards, the biological activities of the molecules were compared against colon cancer antigen pro-teins, ID 2HQ6, and a breast cancer protein, which is a crystal structure of a dimeric caspase-9, ID 2AR9. Experimental and theoretical studies have shown that the biological activity of the molecule S5 is higher than that of other molecules. (C) 2020 Elsevier B.V. All rights reserved. |
|
| dc.language |
eng |
|
| dc.rights |
info:eu-repo/semantics/closedAccess |
|
| dc.title |
Investigation of structural, spectral, electronic, and biological properties of 1,3-disubstituted benzimidazole derivatives |
|
| dc.type |
info:eu-repo/semantics/article |
|