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Journals / Journal of Anatolian Physics and Astronomy / 2024 / Cilt: 3 Sayı: 2

Synthesis, FT-IR, DFT and in silico Antibacterial Activity Studies of Silver Nitrate Complex of Chlorzoxazone

Chlorzoxazone Molekülünün Gümüş Nitrat Bileşiğinin Sentezlenmesi, FT-IR, DFT ve in silico Antibakteriyel Çalışmaları

Mustafa Tuğfan Bilkan(TOKAT GAZİOSMANPAŞA ÜNİVERSİTESİ, TIP FAKÜLTESİ)0000-0002-0306-1509
Zehra Çakıl(TOKAT GAZİOSMANPAŞA ÜNİVERSİTESİ)0009-0006-5727-8216
Elçin Özgür Büyükatalay(GAZI UNIVERSITY)
Pages
52–61
Publication Date
2024-12-12
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AI Summary & Key Takeaways

AI Insight
⚡ TL;DR(Too Long; Didn't Read)

The results revealed the ADME, toxicity, and antibacterial effect of CZX.AgNO3 is quite superior.

📌 3 Key Takeaways

🎯
Objective & Hypothesis:In this study, it was aimed to produce a new potential antibacterial agent using Chlorzoxazone and silver nitrate.
📊
Key Findings & Data:Within the scope of the study, CZX.AgNO3 structure was synthesized by chemical synthesis methods.
💡
Conclusion & Impact:The results revealed the ADME, toxicity, and antibacterial effect of CZX.AgNO3 is quite superior.
🔬Design:Araştırma Makalesi
📍Scope:Comprehensive Sample
⚙️Variables:Gümüş Nitrat · Chlorzoxazone · Moleküler Spektroskopi

Abstract

In this study, it was aimed to produce a new potential antibacterial agent using Chlorzoxazone and silver nitrate. Within the scope of the study, CZX.AgNO3 structure was synthesized by chemical synthesis methods. The structure was experimentally characterized by FT-IR and elemental analysis. In addition, the optimized structure and vibration frequencies were determined by the DFT method. After characterization, ADME and toxicity parameters of the new molecule were revealed using in silico methods. In order to determine the antibacterial effect of the molecule, molecular docking studies were performed on gram+ Staphylococcus aureus bacteria, and the results were compared with the frequently used antibiotic clindamycin. The results revealed the ADME, toxicity, and antibacterial effect of CZX.AgNO3 is quite superior.

Özet

Bu çalışmada, Klorzoksazon ve gümüş nitrat kullanılarak yeni bir potansiyel antibakteriyel ajan üretilmesi amaçlanmıştır. Çalışma kapsamında, CZX.AgNO3 yapısı kimyasal sentez yöntemleri ile sentezlenmiştir. Yapı, FT-IR ve elementel analiz ile deneysel olarak karakterize edilmiştir. Ayrıca, optimize edilmiş yapı ve titreşim frekansları DFT yöntemi ile belirlenmiştir. Karakterizasyon sonrasında yeni molekülün ADME ve toksisite parametreleri in silico yöntemler kullanılarak ortaya çıkarılmıştır. Molekülün antibakteriyel etkisini belirlemek amacıyla gram+ Staphylococcus aureus bakterileri üzerinde moleküler yerleştirme çalışmaları yapılmış ve sonuçlar sıklıkla kullanılan antibiyotik klindamisin ile karşılaştırılmıştır. Sonuçlar CZX.AgNO3'ün ADME, toksisite ve antibakteriyel etkisinin oldukça üstün olduğunu ortaya koymuştur.

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Cite This Article

Bilkan, M. T., Çakıl, Z., Büyükatalay, E. Ö. (2024). Synthesis, FT-IR, DFT and in silico Antibacterial Activity Studies of Silver Nitrate Complex of Chlorzoxazone. Journal of Anatolian Physics and Astronomy, Cilt: 3 Sayı: 2, 52–61. https://doi.org/10.5281/zenodo.14344088

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