1,4-Dihydropyridine-Azole Hybrids: Synthesis, Computational Studies And Antimicrobial Activity

2021-06-22
Gündüz, Miyase Gözde
Dengiz, Çağatay
Koçak Aslan, Ebru
Skaro Bogojevic, Sanja
Nikodinovic-Runic, Jasmina
13th International Symposium on Pharmaceutical Sciences

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In the present study, the molecular orbital properties of 1,3-dipolar cycloaddition products of 1-methyl-3-oxidopyridinium betaine with C-70 have been investigated theoretically at the level of PM3 (RHF) type semi empirical quantum chemical calculations and then single point DFT calculations were performed for the energies. The betaine acts as a 4 pi-component across its 2,6-positions and certain C=C bonds of C-70 act as 2 pi-component in the 1,3-dipolar cycloadditions considered presently. Various cycloadd...
Citation Formats
M. G. Gündüz, Ç. Dengiz, E. Koçak Aslan, S. Skaro Bogojevic, and J. Nikodinovic-Runic, “1,4-Dihydropyridine-Azole Hybrids: Synthesis, Computational Studies And Antimicrobial Activity,” presented at the 13th International Symposium on Pharmaceutical Sciences, Ankara, Türkiye, 2021, Accessed: 00, 2021. [Online]. Available: https://hdl.handle.net/11511/94089.