TY  - JOUR
TI  - Synthesis and evaluation of antiproliferative and mPGES-1 inhibitory activities of novel carvacrol-triazole conjugates
AB  - Some novel triazole-bearing acetamide derivatives 9-26 were synthesized starting from carvacrol. All synthesized compounds were characterized by FTIR, 1H-NMR, 13C-NMR and MS data. In vitro cytotoxic activities of all synthesized molecules against five cancer lines (human breast cancer MCF-7, human lung cancer A549, human prostate cancer PC-3, human chronic myelogenous leukemia K562, human neuroblastoma SH-SY5Y cell lines) were evaluated by MTT assay. Compounds were also tested on mouse embryonic fibroblast cells (NIH/3T3) to determine selectivity. Eighteen target compounds 9-26 were screened for their mPGES-1 and COX-1/2 inhibitory activities. Of these compounds, 26 (KUC16D425) showed the highest mPGES-1 inhibition at 10 μM. This compound has also been observed to induce apoptosis and inhibit cell migration in MCF-7 cells. In silico molecular docking calculations were performed to understand the binding interactions of compounds with target proteins. ADMET predictions were also done to evaluate drug-like properties of the novel compounds.
AU  - Demirbolat, ilker
AU  - Yelekci, Kemal
AU  - Bingöl Özakpınar, Özlem
AU  - Ogan, Ayse
AU  - Liu, Jianyang
AU  - Jakobson, Per-Johan
AU  - kulabaş, necla
AU  - GURBOGA, MERVE
AU  - ÇİFTÇİ, GAMZE
AU  - Danış, Özkan
AU  - Küçükgüzel, İlkay
DO  - 10.25135/acg.oc.142.2212.2651
PY  - 2022
JO  - Organic Communications
VL  - 15
IS  - 4
SN  - 1307-6175
SP  - 356
EP  - 377
DB  - TRDizin
UR  - http://search/yayin/detay/1171194
ER  -