j. fac. pharm. ankara

Journal of Faculty of Pharmacy of Ankara University

1015-3918 2564-6524

Ankara University

10.1501/Eczfak_0000000408

Pharmacology and Pharmaceutical Sciences

Eczacılık ve İlaç Bilimleri

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

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

Ören İlkay

Yıldız

Gülbaş Betül P.

Tekiner

09 01 2003

32 3 165 173 09 01 2003

1971

Journal of Faculty of Pharmacy of Ankara University

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

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-98kullanılarak geometrileri optimize edilmiştir. Yapı ve aktivite arasındaki ilişki tartışıldı

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

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