Synthesis, chararacterization and molecular docking studies of new oxomethacrylate and m-acetamide
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Abstract (EN)
The compounds 2-chloro-N-(3-methoxyphenyl)acetamide (m-acetamide) and 2-(3-methoxyphenylamino)-2-oxoethyl methacrylate (3MPAEMA) were synthesized in this study for the first time in the literature. FTIR, 1H, and 13C NMR spectroscopic techniques were used to characterize it. Subsequently, computational techniques were used to assess various ADME factors, such as drug-likeness properties, bioavailability score, and adherence to Lipinski's rule. Finally, molecular docking experiments were conducted with the human TOP2A protein to verify and validate the reliability and stability of the docking procedure.The results of the docking scores, which quantify binding affinity, indicated that these derivatives exhibited a stronger affinity for TOP2A.
Author
Verda Çoban
How to Cite
Verda Çoban (Master Thesis). Synthesis, chararacterization and molecular docking studies of new oxomethacrylate and m-acetamide, 2025, Uşak University.
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