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

Authors : Elif GÜNEY, Koray SAYİN

Pages : 30-41

Doi:10.33435/tcandtc.1270359

View : 51 | Download : 48

Publication Date : 2023-09-03

Article Type : Research Paper

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 insert ignore into journalissuearticles values(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