Research Article
BibTex RIS Cite

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

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

References

  • [1] alsljdlkajskld
Year 2023, Volume: 7 Issue: 3, 30 - 41, 03.09.2023
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.

Journal Full Title: Turkish Computational and Theoretical Chemistry


Journal Abbreviated Title: Turkish Comp Theo Chem (TC&TC)