Synthesis, Cytotoxic Activity, mRNA Expression, Total Oxidant and Antioxidant Status, and Molecular Modeling Studies of Novel Schiff Base-Thiosemicarbazone Hybrids.
8 affiliations
- 1Department of Chemistry, Faculty of Science, Erciyes University, Kayseri, Turkey.
- 2Department of Chemistry, Atomic Energy Commission of Syria (AECS), Damascus, Syrian Arab Republic.
- 3Department of Biochemistry, Faculty of Pharmacy, Suleyman Demirel University, Isparta, Turkey.
- 4Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Suleyman Demirel University, Isparta, Turkey.
- 5Health Specialties, Basic Sciences and Applications Unit, Applied College, King Khalid University, Abha, Saudi Arabia.
- 6Department of Biology, Faculty of Science, Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia.
- 7Department of Basic Pharmaceutical Sciences, Faculty of Pharmacy, Suleyman Demirel University, Isparta, Turkey.
- 8Faculty of Engineering and Natural Sciences, Bahçeşehir University, Istanbul, Turkey.
Abstract
Several new Schiff-based compounds were synthesized, and their chemical structures were confirmed usingFT-IR, ¹H-NMR, ¹³C-NMR, and HRMS. The compounds were tested in the prostate cancer cell line (PC3) for 72 h. The results demonstrated that compounds NZ10, NZ9, NZ7, and NZ4 had high cytotoxic effects on the PC3 cell line with IC₅₀ values of 10.54, 14.58, 15.85, and 16.48 µM, respectively. The modulator roles of selected compounds on apoptotic signaling were tested by their effect on mRNA expression levels of BAX, BID, BCL2, and BCL-xL using RT-qPCR. Furthermore, the effects on oxidative stress levels were examined by measuring total oxidant and antioxidant levels in cells. The results revealed that selected compounds significantly upregulated pro-apoptotic BAX and BID, whereas they downregulated anti-apoptotic BCL2 and BCL-xL levels. Besides, compounds were found to significantly increase the oxidative status in cells. The binding potential of relatively active compounds to BCL-2 was assessed through molecular docking and molecular dynamics (MD) simulations. The docking study demonstrated that compounds had binding potential to the structure but were weaker than the standard drug, venetoclax. MD simulation analysis showed that complexes of the compounds with higher affinity formed stable complexes with the structure.
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BibTeX
@article{anber2026synthesis,
title = {{Synthesis, Cytotoxic Activity, mRNA Expression, Total Oxidant and Antioxidant Status, and Molecular Modeling Studies of Novel Schiff Base-Thiosemicarbazone Hybrids.}},
author = {Anber M Anber and Mehmet Özbay and İlhan Özer İlhan and Hüseyin Kekeçmuhammed and Rıfat Emin Bora and Emin Saripinar and Yalçın Erzurumlu and Muhammed Tilahun Muhammed and Sadeq K Alhag and Lamya Ahmed Alkeridis and Senem Akkoc},
journal = {Journal of biochemical and molecular toxicology},
year = {2026},
month = oct,
doi = {10.1002/jbt.71140},
url = {https://europepmc.org/article/MED/42927636},
note = {CC BY-NC},
}
RIS
TY - JOUR
TI - Synthesis, Cytotoxic Activity, mRNA Expression, Total Oxidant and Antioxidant Status, and Molecular Modeling Studies of Novel Schiff Base-Thiosemicarbazone Hybrids.
AU - Anber M Anber
AU - Mehmet Özbay
AU - İlhan Özer İlhan
AU - Hüseyin Kekeçmuhammed
AU - Rıfat Emin Bora
AU - Emin Saripinar
AU - Yalçın Erzurumlu
AU - Muhammed Tilahun Muhammed
AU - Sadeq K Alhag
AU - Lamya Ahmed Alkeridis
AU - Senem Akkoc
PY - 2026
DA - 2026/10/30
JO - Journal of biochemical and molecular toxicology
DO - 10.1002/jbt.71140
UR - https://europepmc.org/article/MED/42927636
AB - Several new Schiff-based compounds were synthesized, and their chemical structures were confirmed usingFT-IR, ¹H-NMR, ¹³C-NMR, and HRMS. The compounds were tested in the prostate cancer cell line (PC3) for 72 h. The results demonstrated that compounds NZ10, NZ9, NZ7, and NZ4 had high cytotoxic effects on the PC3 cell line with IC₅₀ values of 10.54, 14.58, 15.85, and 16.48 µM, respectively. The modulator roles of selected compounds on apoptotic signaling were tested by their effect on mRNA expression levels of BAX, BID, BCL2, and BCL-xL using RT-qPCR. Furthermore, the effects on oxidative stress levels were examined by measuring total oxidant and antioxidant levels in cells. The results revealed that selected compounds significantly upregulated pro-apoptotic BAX and BID, whereas they downregulated anti-apoptotic BCL2 and BCL-xL levels. Besides, compounds were found to significantly increase the oxidative status in cells. The binding potential of relatively active compounds to BCL-2 was assessed through molecular docking and molecular dynamics (MD) simulations. The docking study demonstrated that compounds had binding potential to the structure but were weaker than the standard drug, venetoclax. MD simulation analysis showed that complexes of the compounds with higher affinity formed stable complexes with the structure.
SN - 1095-6670
SN - 1099-0461
ER -