| dc.creator |
Mavvaji, Mohammad |
|
| dc.creator |
AKKOÇ, Senem |
|
| dc.creator |
Zeyrek, Celal Tuğrul |
|
| dc.date |
2024-12-31T00:00:00Z |
|
| dc.date.accessioned |
2025-02-25T10:40:47Z |
|
| dc.date.available |
2025-02-25T10:40:47Z |
|
| dc.identifier |
e9299b25-e1c1-4eb7-ab37-ee8af95cefe4 |
|
| dc.identifier |
10.1016/j.bbrc.2024.151024 |
|
| dc.identifier |
https://avesis.sdu.edu.tr/publication/details/e9299b25-e1c1-4eb7-ab37-ee8af95cefe4/oai |
|
| dc.identifier.uri |
http://acikerisim.sdu.edu.tr/xmlui/handle/123456789/101790 |
|
| dc.description |
Three 1,3-disubstituted benzimidazolium salts (3a-c) were efficiently synthesized in moderate to high yields (52–83 %) and analyzed through NMR spectra. The anti-cancer efficiency of these compounds was tested on human liver cancer (HepG2), lung cancer (A549), and normal embryonic kidney (HEK-293T) cell lines. The results demonstrated that compound 3b emerges as a promising candidate for further investigation due to its high cytotoxicity, comparable to cisplatin. The optimized geometry, electronic properties, chemical parameters and frontier molecular orbitals of 3a-c were determined by DFT calculation using density functional theory (DFT) with the B3LYP/6–31++G(d,p) level in the ground state. In addition to the experimental studies, compounds 3a-c were docked against target protein PDB ID: 6V9C representing the HepG2 cell line. |
|
| dc.language |
eng |
|
| dc.rights |
info:eu-repo/semantics/closedAccess |
|
| dc.title |
Investigation of the cytotoxic activity, DFT calculation, and docking studies newly synthesized 1,3-disubstituted benzimidazolium chlorides on human liver cancer, lung cancer, and normal embryonic kidney cell lines |
|
| dc.type |
info:eu-repo/semantics/article |
|