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Journals / Hacettepe Journal of Biology and Chemistry / 2018 / Cilt: 46 - Sayı: 3

Synthesis, Structural Calculations and Molecular Docking Studies of a Novel Uracil Derived Organic Molecule

Gamze KOZ
Pages
373–380
Publication Date
2018-09-01
DOI
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AI Summary & Key Takeaways

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

The physicochemical properties of the molecule such as frontier molecule orbitals and chemical reactivity parameters were also investigated.

📌 3 Key Takeaways

🎯
Objective & Hypothesis:A novel uracil derived compound, (E)-5-((3-chloro-2-hydroxybenzylidene)amino) pyrimidine-2,4(1H,3H)- dione, was synthesized and characterized using spectroscopic techniques.
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Key Findings & Data:The interaction of the molecule with DNA was explored using computational methods which revealed that the molecule could act as a groove binder.
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Conclusion & Impact:The physicochemical properties of the molecule such as frontier molecule orbitals and chemical reactivity parameters were also investigated.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:Uracil · Schiff base · DNA binding

Abstract

A novel uracil derived compound, (E)-5-((3-chloro-2-hydroxybenzylidene)amino) pyrimidine-2,4(1H,3H)- dione, was synthesized and characterized using spectroscopic techniques. The interaction of the molecule with DNA was explored using computational methods which revealed that the molecule could act as a groove binder. The physicochemical properties of the molecule such as frontier molecule orbitals and chemical reactivity parameters were also investigated.

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Cite This Article

KOZ, G. (2018). Synthesis, Structural Calculations and Molecular Docking Studies of a Novel Uracil Derived Organic Molecule. Hacettepe Journal of Biology and Chemistry, Cilt: 46 - Sayı: 3, 373–380. https://ajindex.com/articles/255831

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