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

Elif Güney; Koray Sayin

doi:10.33435/tcandtc.1270359

Research Article

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

Year 2023, Volume: 7 Issue: 3, 30 - 41, 03.09.2023

Elif Güney , Koray Sayin

https://doi.org/10.33435/tcandtc.1270359

An Erratum to this article was published on May 21, 2024. https://dergipark.org.tr/en/pub/tcandtc/issue/78795/1417331

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

References

[1] alsljdlkajskld

Year 2023, Volume: 7 Issue: 3, 30 - 41, 03.09.2023

Elif Güney , Koray Sayin

https://doi.org/10.33435/tcandtc.1270359

An Erratum to this article was published on May 21, 2024. https://dergipark.org.tr/en/pub/tcandtc/issue/78795/1417331

Abstract

References

[1] alsljdlkajskld

There are 1 citations in total.

Details

Primary Language	English
Subjects	Chemical Engineering
Journal Section	Research Article
Authors	Elif Güney 0009-0006-1280-2512 Koray Sayin 0000-0001-6648-5010
Early Pub Date	May 26, 2023
Publication Date	September 3, 2023
Submission Date	March 24, 2023
Published in Issue	Year 2023 Volume: 7 Issue: 3

Cite

APA	Güney, E., & Sayin, K. (2023). Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives. Turkish Computational and Theoretical Chemistry, 7(3), 30-41. https://doi.org/10.33435/tcandtc.1270359
AMA	Güney E, Sayin K. Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives. Turkish Comp Theo Chem (TC&TC). September 2023;7(3):30-41. doi:10.33435/tcandtc.1270359
Chicago	Güney, Elif, and Koray Sayin. “Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives”. Turkish Computational and Theoretical Chemistry 7, no. 3 (September 2023): 30-41. https://doi.org/10.33435/tcandtc.1270359.
EndNote	Güney E, Sayin K (September 1, 2023) Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives. Turkish Computational and Theoretical Chemistry 7 3 30–41.
IEEE	E. Güney and K. Sayin, “Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives”, Turkish Comp Theo Chem (TC&TC), vol. 7, no. 3, pp. 30–41, 2023, doi: 10.33435/tcandtc.1270359.
ISNAD	Güney, Elif - Sayin, Koray. “Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives”. Turkish Computational and Theoretical Chemistry 7/3 (September 2023), 30-41. https://doi.org/10.33435/tcandtc.1270359.
JAMA	Güney E, Sayin K. Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives. Turkish Comp Theo Chem (TC&TC). 2023;7:30–41.
MLA	Güney, Elif and Koray Sayin. “Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives”. Turkish Computational and Theoretical Chemistry, vol. 7, no. 3, 2023, pp. 30-41, doi:10.33435/tcandtc.1270359.
Vancouver	Güney E, Sayin K. Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives. Turkish Comp Theo Chem (TC&TC). 2023;7(3):30-41.