سنتز، فعالیت ضد باکتریایی و مطالعه داکینگ مولکولی یک سری از هیبریدهای 3،1-اکسازول-کینوکسالین آمین

عنوان انگليسی

Synthesis, Antibacterial Activity and Molecular Docking Study of a Series of 1,3-Oxazole-Quinoxaline Amine Hybrids

خلاصه انگلیسی

A series of 1,3-oxazole-quinoxaline amine hybrids were prepared successfully through a copper-free Sonogashira coupling followed by heteroannulation in a one-pot process. The reaction of benzoyl chlorides, prop-2-yn-1-amine, and 2-amine-substituted 3-chloroquinoxalines catalyzed by Pd(Ph3P)2Cl2 in the presence of tris(benzyltriazolylmethyl)amine (TBTA) as an efficient ligand in EtOH produced 1,3-oxazole-quinoxaline amine hybrids in high yields. All synthesized 1,3-oxazole-quinoxaline amine hybrids were screened for antibacterial properties and were exposed to molecular docking studies. Molecular docking study manifested the possible binding mode of compounds with its bacterial target protein. The consequences of biological activity and docking study disclosed that the increase of lipophilic and extra hydrogen bond characters are essential for suitable antibacterial activity.

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