Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives

The original article was published on September 3, 2023. https://dergipark.org.tr/en/pub/tcandtc/article/1270359

Erratum Note

The Corresponding Authors e-mail address of the study was written incorrectly. The necessary corrections were made and the correction manuscript was published.

Abstract

Cancer is one of the most important diseases threatening human health today, and gastric cancer is among the top five in terms of mortality rate. Synthesized eight isoxazole derivatives were investigated in this study as computationally. Structural properties of them were examined in detail and chemical/electronic properties of these compounds are investigated using contour plot of HOMO/LUMO and molecular electrostatic potential (MEP) map. Anticancer properties of these compounds are investigated using molecular docking calculations against H. Pylori and VEGFR2. Additionally, the pharmacokinetics and pharmacology properties are investigated using ADME and p450 analyses Finally, it was found that compound 5a is the best inhibitor candidate.

Keywords

• Isoxazole
• Gastric Cancer
• H. Pylori
• VEGFR2
• ADME

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