DFT CALCULATIONS OF SOME ANTIMICROBIAL ACTIVE 3,4-DIHYDRO-l,4-BENZOXAZIN-3-ONE DERIVATIVES

Yıldız Ören İlkay; Tekiner Gülbaş Betül P.

doi:10.1501/Eczfak_0000000408

Research Article

DFT CALCULATIONS OF SOME ANTIMICROBIAL ACTIVE 3,4-DIHYDRO-l,4-BENZOXAZIN-3-ONE DERIVATIVES

Year 2003, Volume: 32 Issue: 3 , 165 - 173 , 01.09.2003

Yıldız Ören İlkay Tekiner Gülbaş Betül P.

https://doi.org/10.1501/Eczfak_0000000408

https://izlik.org/JA83UX85BS

Abstract

In this study, five antimicrobial active ethyl 3,4-dihydro-6-and/or 7-substituted-3-oxo-2H-l,4benzoxazine-2-acetate derivatives geometrically have been optimized with DFT in Gaussian-98 at the Becke3LYP/6-31G(d,p) level. It was discussed the relationships between structures and their activity

Keywords

Benzoxazines , DIMBOA , Antimicrobial activity , DFT , Becke3LYP/6-31G(d,p)

BAZI ANTİMİKROBİYAL ETKİLİ 3,4-DİHİDRO-l,4-BENZOKSAZİN-3-ON TÜREVLERİNİN DFT HESAPLAMALARI

Year 2003, Volume: 32 Issue: 3 , 165 - 173 , 01.09.2003

Yıldız Ören İlkay Tekiner Gülbaş Betül P.

https://doi.org/10.1501/Eczfak_0000000408

https://izlik.org/JA83UX85BS

Abstract

Bu çalışmada, beş adet antimikrobiyal etkili etil 3,4-dihidro-6-ve/veya 7-sübstitüe-3-okso2H-1,4-benzoksazin-2-asetat türevleri DFT ile Becke3LYP/6-31G(d,p) , düzeyinde Gaussian-98
kullanılarak geometrileri optimize edilmiştir. Yapı ve aktivite arasındaki ilişki tartışıldı

Keywords

Benzoksazinler , DIMBOA , Antimikrobiyal etki , DFT , Becke3LYP/6-31G(d , p)

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Details

Primary Language	English
Subjects	Pharmacology and Pharmaceutical Sciences
Other ID	JA38BC22MN
Journal Section	Research Article
Authors	Yıldız Ören İlkay This is me Tekiner Gülbaş Betül P. This is me
Submission Date	September 1, 2003
Publication Date	September 1, 2003
DOI	https://doi.org/10.1501/Eczfak_0000000408
IZ	https://izlik.org/JA83UX85BS
Published in Issue	Year 2003 Volume: 32 Issue: 3

Cite

APA	Ören İlkay, Y., & Gülbaş Betül P., T. (2003). DFT CALCULATIONS OF SOME ANTIMICROBIAL ACTIVE 3,4-DIHYDRO-l,4-BENZOXAZIN-3-ONE DERIVATIVES. Journal of Faculty of Pharmacy of Ankara University, 32(3), 165-173. https://doi.org/10.1501/Eczfak_0000000408
AMA	1.Ören İlkay Y, Gülbaş Betül P. T. DFT CALCULATIONS OF SOME ANTIMICROBIAL ACTIVE 3,4-DIHYDRO-l,4-BENZOXAZIN-3-ONE DERIVATIVES. J. Fac. Pharm. Ankara. 2003;32(3):165-173. doi:10.1501/Eczfak_0000000408
Chicago	Ören İlkay, Yıldız, and Tekiner Gülbaş Betül P. 2003. “DFT CALCULATIONS OF SOME ANTIMICROBIAL ACTIVE 3,4-DIHYDRO-L,4-BENZOXAZIN-3-ONE DERIVATIVES”. Journal of Faculty of Pharmacy of Ankara University 32 (3): 165-73. https://doi.org/10.1501/Eczfak_0000000408.
EndNote	Ören İlkay Y, Gülbaş Betül P. T (September 1, 2003) DFT CALCULATIONS OF SOME ANTIMICROBIAL ACTIVE 3,4-DIHYDRO-l,4-BENZOXAZIN-3-ONE DERIVATIVES. Journal of Faculty of Pharmacy of Ankara University 32 3 165–173.
IEEE	[1]Y. Ören İlkay and T. Gülbaş Betül P., “DFT CALCULATIONS OF SOME ANTIMICROBIAL ACTIVE 3,4-DIHYDRO-l,4-BENZOXAZIN-3-ONE DERIVATIVES”, J. Fac. Pharm. Ankara, vol. 32, no. 3, pp. 165–173, Sept. 2003, doi: 10.1501/Eczfak_0000000408.
ISNAD	Ören İlkay, Yıldız - Gülbaş Betül P., Tekiner. “DFT CALCULATIONS OF SOME ANTIMICROBIAL ACTIVE 3,4-DIHYDRO-L,4-BENZOXAZIN-3-ONE DERIVATIVES”. Journal of Faculty of Pharmacy of Ankara University 32/3 (September 1, 2003): 165-173. https://doi.org/10.1501/Eczfak_0000000408.
JAMA	1.Ören İlkay Y, Gülbaş Betül P. T. DFT CALCULATIONS OF SOME ANTIMICROBIAL ACTIVE 3,4-DIHYDRO-l,4-BENZOXAZIN-3-ONE DERIVATIVES. J. Fac. Pharm. Ankara. 2003;32:165–173.
MLA	Ören İlkay, Yıldız, and Tekiner Gülbaş Betül P. “DFT CALCULATIONS OF SOME ANTIMICROBIAL ACTIVE 3,4-DIHYDRO-L,4-BENZOXAZIN-3-ONE DERIVATIVES”. Journal of Faculty of Pharmacy of Ankara University, vol. 32, no. 3, Sept. 2003, pp. 165-73, doi:10.1501/Eczfak_0000000408.
Vancouver	1.Yıldız Ören İlkay, Tekiner Gülbaş Betül P. DFT CALCULATIONS OF SOME ANTIMICROBIAL ACTIVE 3,4-DIHYDRO-l,4-BENZOXAZIN-3-ONE DERIVATIVES. J. Fac. Pharm. Ankara. 2003 Sep. 1;32(3):165-73. doi:10.1501/Eczfak_0000000408

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The Journal of Faculty of Pharmacy of Ankara University is an international medium, an open access, peer-reviewed journal for the publication of original research reports, reviews and short communications in English or Turkish on relevant developments in pharmaceutical sciences., Proceeding of scientific meetings may be published as special issues of supplements to the journal. Additionally, it contains previous and forthcoming national and international scientific meetings with social activities in pharmaceutical areas.