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Dergiler / Sakarya University Journal of Science / 2026 / Volume: 30 Issue: 5

Development of Novel Nimesulide Analogues as Potential Candidates for Pancreatic Ductal Adenocarcinoma

Özgür Yılmaz(TUBITAK MARMARA RESEARCH CENTER)0000-0003-3892-2775
Yağmur Biliz(TUBITAK MARMARA RESEARCH CENTER)0000-0002-4181-7290
Zeynep Nihal Kılıç(TUBITAK MARMARA RESEARCH CENTER)0009-0008-6117-2136
Elifnur Kapukaya(TUBITAK MARMARA RESEARCH CENTER)0009-0002-8500-2218
Fulya Çağlar(TUBITAK MARMARA RESEARCH CENTER)0000-0001-6325-1980
Merve Camcı Eren(ISTANBUL UNIVERSITY, FACULTY OF PHARMACY, DEPARTMENT OF PHARMACEUTICAL CHEMISTRY)0000-0003-0157-2839
Sayfa
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Yayın Tarihi
2026-10-30
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Yapay Zeka Hızlı Bakış & Çıkarımlar

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⚡ TL;DR(1 Cümlede Hızlı Çıkarım)

These findings suggest that the synthesized Nimesulide derivatives represent promising antioxidant compounds with favorable in silico interactions toward PDAC-associated targets, warranting further biological evaluation for potential therapeutic applications.

📌 3 Maddede Bu Makale

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Amaç & Hipotez:Pancreatic Ductal Adenocarcinoma (PDAC) is a highly aggressive malignancy with the lowest survival rates worldwide.
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Temel Bulgular & Veri:Recent studies have demonstrated that reactive oxygen species (ROS) play a significant role in PDAC progression through the remodeling of the tumor microenvironment, promotion of metastasis, and activation of inflammatory signaling pathways.
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Sonuç & Katkı:These findings suggest that the synthesized Nimesulide derivatives represent promising antioxidant compounds with favorable in silico interactions toward PDAC-associated targets, warranting further biological evaluation for potential therapeutic applications.
🔬Tür:Modelleme & Sayısal Simülasyon
📍Kapsam:Genişletilmiş Akademik Örneklem
⚙️Değişkenler:Pancreatic ductal adenocarcinoma · Nimesulide derivatives · Cyclooxygenase-2

Abstract

Pancreatic Ductal Adenocarcinoma (PDAC) is a highly aggressive malignancy with the lowest survival rates worldwide. Recent studies have demonstrated that reactive oxygen species (ROS) play a significant role in PDAC progression through the remodeling of the tumor microenvironment, promotion of metastasis, and activation of inflammatory signaling pathways. Although non-steroidal anti-inflammatory drugs (NSAIDs) are known to regulate these processes, their effects on pancreatic cancer remain unclear. This study aimed to develop novel Nimesulide derivatives with enhanced antioxidant potential. In this context, a series of compounds (2a–j and 3a–c) were synthesized via chemical modification of Nimesulide, and their structural characterization was confirmed by FTIR, 1H-NMR, 13C-NMR, and MS analyses. The synthesized compounds were evaluated using a DPPH radical scavenging assay to ascertain their antioxidant activities, and some derivatives exhibited notable activity. Furthermore, the interactions of the compounds with COX-2 and MetAP2 enzymes were investigated using molecular docking. The results indicated that some compounds interacted with COX-2 at alternative hydrophobic pockets rather than the active site, whereas they exhibited strong binding affinity toward MetAP2 by forming multiple interactions with active site amino acid residues. These findings suggest that the synthesized Nimesulide derivatives represent promising antioxidant compounds with favorable in silico interactions toward PDAC-associated targets, warranting further biological evaluation for potential therapeutic applications.

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Bu Makaleye Atıf Yap

Yılmaz, Ö., Biliz, Y., Kılıç, Z. N., Kapukaya, E., Çağlar, F., Eren, M. C. (2026). Development of Novel Nimesulide Analogues as Potential Candidates for Pancreatic Ductal Adenocarcinoma. Sakarya University Journal of Science, Volume: 30 Issue: 5. https://doi.org/10.16984/saufenbilder.1941233

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