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

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

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.

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Bibtex @araştırma makalesi { tcandtc1270359, journal = {Turkish Computational and Theoretical Chemistry}, issn = {2587-1722}, eissn = {2602-3237}, address = {}, publisher = {Koray SAYIN}, year = {2023}, volume = {7}, number = {3}, pages = {30 - 41}, doi = {10.33435/tcandtc.1270359}, title = {Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives}, key = {cite}, author = {Güney, Elif and Sayin, Koray} }
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 . DOI: 10.33435/tcandtc.1270359
MLA Güney, E. , Sayin, K. "Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives" . Turkish Computational and Theoretical Chemistry 7 (2023 ): 30-41 <
Chicago Güney, E. , Sayin, K. "Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives". Turkish Computational and Theoretical Chemistry 7 (2023 ): 30-41
RIS TY - JOUR T1 - Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives AU - ElifGüney, KoraySayin Y1 - 2023 PY - 2023 N1 - doi: 10.33435/tcandtc.1270359 DO - 10.33435/tcandtc.1270359 T2 - Turkish Computational and Theoretical Chemistry JF - Journal JO - JOR SP - 30 EP - 41 VL - 7 IS - 3 SN - 2587-1722-2602-3237 M3 - doi: 10.33435/tcandtc.1270359 UR - Y2 - 2023 ER -
EndNote %0 Turkish Computational and Theoretical Chemistry Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives %A Elif Güney , Koray Sayin %T Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives %D 2023 %J Turkish Computational and Theoretical Chemistry %P 2587-1722-2602-3237 %V 7 %N 3 %R doi: 10.33435/tcandtc.1270359 %U 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 .
AMA 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.
Vancouver Güney E. , Sayin K. Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives. Turkish Computational and Theoretical Chemistry. 2023; 7(3): 30-41.
IEEE E. Güney ve K. Sayin , "Structural, Spectral, Antibacterial and Anticancer Investigations of Synthesized Isoxazole Derivatives", , c. 7, sayı. 3, ss. 30-41, Eyl. 2023, doi:10.33435/tcandtc.1270359