SYNTHESIS, MOLECULAR DOCKING STUDIES AND IN VITRO ANTIMICROBIAL EVALUATION OF NOVEL PYRIMIDO[1,2-a]QUINOXALINE AND TRIAZINO[4,3-a]-QUINOXALINE DERIVATIVES

摘要

A series of 3-substituted-2,6-dihydro-1H-pyrimido[1,2-a]quinoxaline-5-carboxylates (4a,b), (8c,d) and (13a,b) were prepared by treating ethyl 3-amino-1,4-dihydroquinoxaline-2-carboxylate (1) with alkylidenemalononitrile derivatives. Moreover, 8H-benzo[5,6][1,2,4]triazino[4,3-a]quinoxaline-7-carboxylate derivatives (18, 20, 22, 24) were synthesized from condensation reaction between diazonium salts 16 with resorcinol, 1-naphthol, malononitrile and ethyl acetoacetate respectively. Some of the newly synthesized compounds were screened for their antimicrobial activity studies. Furthermore, molecular docking were performed on the active compounds 1, 4a and 8c to predict the mode of action of these novel compounds.