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

Elif Güney; Koray Sayin

doi:10.33435/tcandtc.1270359

Araştırma Makalesi

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

Yıl 2023, Cilt: 7 Sayı: 3, 30 - 41, 03.09.2023

Elif Güney , Koray Sayin

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

Bu makale için 21 Mayıs 2024 tarihinde bir düzeltme yayımlandı. https://dergipark.org.tr/tr/pub/tcandtc/issue/78795/1417331

Öz

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.

Anahtar Kelimeler

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

Kaynakça

[1] alsljdlkajskld

Yıl 2023, Cilt: 7 Sayı: 3, 30 - 41, 03.09.2023

Elif Güney , Koray Sayin

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

Bu makale için 21 Mayıs 2024 tarihinde bir düzeltme yayımlandı. https://dergipark.org.tr/tr/pub/tcandtc/issue/78795/1417331

Öz

Kaynakça

[1] alsljdlkajskld

Toplam 1 adet kaynakça vardır.

Ayrıntılar

Birincil Dil	İngilizce
Konular	Kimya Mühendisliği
Bölüm	Research Article
Yazarlar	Elif Güney 0009-0006-1280-2512 Koray Sayin 0000-0001-6648-5010
Erken Görünüm Tarihi	26 Mayıs 2023
Yayımlanma Tarihi	3 Eylül 2023
Gönderilme Tarihi	24 Mart 2023
Yayımlandığı Sayı	Yıl 2023 Cilt: 7 Sayı: 3

Kaynak Göster

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). Eylül 2023;7(3):30-41. doi:10.33435/tcandtc.1270359
Chicago	Güney, Elif, ve Koray Sayin. “Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives”. Turkish Computational and Theoretical Chemistry 7, sy. 3 (Eylül 2023): 30-41. https://doi.org/10.33435/tcandtc.1270359.
EndNote	Güney E, Sayin K (01 Eylül 2023) Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives. Turkish Computational and Theoretical Chemistry 7 3 30–41.
IEEE	E. Güney ve K. Sayin, “Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives”, Turkish Comp Theo Chem (TC&TC), c. 7, sy. 3, ss. 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 (Eylül 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 ve Koray Sayin. “Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives”. Turkish Computational and Theoretical Chemistry, c. 7, sy. 3, 2023, ss. 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.