Synthesis and evaluation of antiproliferative and mPGES-1 inhibitory activities of novel carvacrol-triazole conjugates

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Date

2022

Authors

Kulabas, Necla
Guerboga, Merve
oezakpinar, Oezlem Bingoel
ciftci, Gamze
Yelekci, Kemal
Liu, Jianyang

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Acg Publications

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Abstract

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 mu M. 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.

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Prostaglandin-E Synthase-1, In-Vitro, Gastric Adenocarcinoma, Essential Oil, Tumor-Growth, E-2, Identification, Derivatives, Antituberculosis, Proliferation, Prostaglandin-E Synthase-1, Carvacrol, In-Vitro, 1, Gastric Adenocarcinoma, 2, Essential Oil, 4-triazoles, Tumor-Growth, cancer, E-2, apoptosis, Identification, mPGES-1, Derivatives, in silico studies, Antituberculosis, 2022 ACG Publication, Proliferation, All rights reserved

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3

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N/A

Scopus Q

Q3

Source

Organic Communications

Volume

15

Issue

4

Start Page

356

End Page

377